Geometry & MOs

Info

ID:	133614
PubChem CID:	51562583
Reduced:	N2O4C18H25 (1)
Stoich.:	A2B4C18D25 (1)
Weight, g/mol:	432.077137
ΔH_f, kcal/mol:	-135.46
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.778228
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-chloro-5-nitrophenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CC(C)(C)CC(=O)[O-]

DOS

IR

Vibrations