Geometry & MOs

Info

ID:	237220
PubChem CID:	92717926
Reduced:	ClON5H18C22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	403.119988
ΔH_f, kcal/mol:	105.01
Dipole, Da:	2.65
IP(EA), eV:	-9.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N[C@@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations