Geometry & MOs

Info

ID:	67905
PubChem CID:	46507394
Reduced:	SO2N5H23C26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	469.157246
ΔH_f, kcal/mol:	40.28
Dipole, Da:	4.46
IP(EA), eV:	-8.86(-1.49)
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-[(4-propan-2-ylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations