Geometry & MOs

Info

ID:	228195
PubChem CID:	87563640
Reduced:	O4N5C25H29 (1)
Stoich.:	A4B5C25D29 (1)
Weight, g/mol:	984.322657
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	3.19
IP(EA), eV:	-8.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamate;8-[8-(methylamino)dibenzothiophen-4-yl]-2-morpholin-4-ylchromen-4-one

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[C@H](C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=C(C(=NC=C3)C(=O)N4CCN(CC4)C)OC

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[C@H](C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=C(C(=NC=C3)C(=O)N4CCN(CC4)C)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):