Geometry & MOs

Info

ID:	178727
PubChem CID:	76372954
Reduced:	SO4N5C20H29 (1)
Stoich.:	AB4C5D20E29 (1)
Weight, g/mol:	356.094312
ΔH_f, kcal/mol:	-142.77
Dipole, Da:	2.96
IP(EA), eV:	-9.83(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-[(2-oxothietan-3-yl)amino]-3-phenylpropan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC1CSC1=O)NC(=O)C2=NC=CN=C2

DOS

IR

Vibrations