Geometry & MOs

Info

ID:	237219
PubChem CID:	92717925
Reduced:	BrNO3H20C24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	403.119988
ΔH_f, kcal/mol:	-30.48
Dipole, Da:	4.69
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-(5-phenyltetrazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H](C(=C(C2=O)O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)Br

DOS

IR

Vibrations