Geometry & MOs

Info

ID:	61790
PubChem CID:	26713142
Reduced:	ClSN2O4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	418.061487
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	3.67
IP(EA), eV:	-8.35(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations