Geometry & MOs

Info

ID:	431710
PubChem CID:	135171806
Reduced:	SN2O7C19H24 (1)
Stoich.:	AB2C7D19E24 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-279.22
Dipole, Da:	3.27
IP(EA), eV:	-8.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-3-methyl-2-[[4-[2-(4-nitrosophenyl)ethynyl]benzoyl]amino]butanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=CC(=C(C=C21)NS(=O)(=O)C)OC(=O)C)CC(=O)OC(C)(C)C

DOS

IR

Vibrations