Geometry & MOs

Info

ID:	140639
PubChem CID:	52734716
Reduced:	O2N6C23H31 (1)
Stoich.:	A2B6C23D31 (1)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	29.92
Dipole, Da:	7.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.985468
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC[C@H](C1=CC(=CC=C1)OC)[NH+](C)C)N2N=C(N=N2)C3=CC=CC=C3

DOS

IR

Vibrations