Geometry & MOs

Info

ID:	157891
PubChem CID:	56458801
Reduced:	SO2N5C22H27 (1)
Stoich.:	AB2C5D22E27 (1)
Weight, g/mol:	454.113333
ΔH_f, kcal/mol:	-38.84
Dipole, Da:	2.49
IP(EA), eV:	-8.54(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-(3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CSCN2C(=O)C3CCN(CC3)C4=NC=CC=N4)C

DOS

IR

Vibrations