Geometry & MOs

Info

ID:	175299
PubChem CID:	75880607
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	458.152495
ΔH_f, kcal/mol:	10.68
Dipole, Da:	4.16
IP(EA), eV:	-8.76(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations