Geometry & MOs

Info

ID:	335993
PubChem CID:	127255000
Reduced:	O4N5H29C30 (1)
Stoich.:	A4B5C29D30 (1)
Weight, g/mol:	622.154941
ΔH_f, kcal/mol:	-62.25
Dipole, Da:	5.66
IP(EA), eV:	-8.21(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9Z)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=C(N=C6C=CC(=CC6=C5)OC)N7CCOCC7

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=C(N=C6C=CC(=CC6=C5)OC)N7CCOCC7

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):