Geometry & MOs

Info

ID:	178474
PubChem CID:	76334551
Reduced:	SN3O3C7H9 (2)
Stoich.:	AB3C3D7E9 (2)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-177.88
Dipole, Da:	3.17
IP(EA), eV:	-9.62(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pent-4-enyl (2S)-2-[imidazole-1-carbonyl(methyl)amino]butanoate

Drug info:

PubChemData

Smile

CNC(=O)NCC1=C(SC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

DOS

IR

Vibrations