Geometry & MOs

Info

ID:	67906
PubChem CID:	46507397
Reduced:	SO2N5H23C26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	455.141596
ΔH_f, kcal/mol:	40.94
Dipole, Da:	1.24
IP(EA), eV:	-8.88(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]-N-(2-phenylpropyl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC3=NN4C(=O)C5=CC=CC=C5N=C4S3

DOS

IR

Vibrations