Geometry & MOs

Info

ID:	135901
PubChem CID:	51955014
Reduced:	SN2O3C8H8 (2)
Stoich.:	AB2C3D8E8 (2)
Weight, g/mol:	424.051127
ΔH_f, kcal/mol:	-93.38
Dipole, Da:	10.61
IP(EA), eV:	-9.65(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pent-4-enamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC=C)C(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations