Geometry & MOs

Info

ID:	49291
PubChem CID:	11532664
Reduced:	SN4O9C17H22 (1)
Stoich.:	AB4C9D17E22 (1)
Weight, g/mol:	458.141262
ΔH_f, kcal/mol:	-354.13
Dipole, Da:	15.89
IP(EA), eV:	-8.84(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(5Z)-5-(2,3-dihydroindol-1-ylmethylidene)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide

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)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C3=C(C(=O)N=C(N3)N)SC2=O)OC(=O)C)OCCOC

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)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C3=C(C(=O)N=C(N3)N)SC2=O)OC(=O)C)OCCOC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):