Geometry & MOs

Info

ID:	159148
PubChem CID:	57261303
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	203.061614
ΔH_f, kcal/mol:	-93.07
Dipole, Da:	3.44
IP(EA), eV:	-9.16(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butanoylamino)-3-methylsulfanylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC2=C1NC(=O)CC2(C)C)[N+](=O)[O-]

DOS

IR

Vibrations