Geometry & MOs

Info

ID:	140638
PubChem CID:	52734715
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	423.250849
ΔH_f, kcal/mol:	29.23
Dipole, Da:	4.32
IP(EA), eV:	-8.92(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(3-methoxyphenyl)-2-[[(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations