Geometry & MOs

Info

ID:	431982
PubChem CID:	135172110
Reduced:	ClSO2N4C23H33 (1)
Stoich.:	ABC2D4E23F33 (1)
Weight, g/mol:	374.243024
ΔH_f, kcal/mol:	-67.44
Dipole, Da:	5.34
IP(EA), eV:	-8.93(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-(2H-tetrazol-5-ylamino)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC[C@@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NC(=NS3)Cl

DOS

IR

Vibrations