Geometry & MOs

Info

ID:	135900
PubChem CID:	51955013
Reduced:	IO2N3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	424.051127
ΔH_f, kcal/mol:	-81.8
Dipole, Da:	4.01
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)I)NC(=O)[C@H]2CCCN(C2)C(=O)NC(C)C

DOS

IR

Vibrations