Geometry & MOs

Info

ID:	79450
PubChem CID:	49754873
Reduced:	SN4O7C20H28 (1)
Stoich.:	AB4C7D20E28 (1)
Weight, g/mol:	402.19032
ΔH_f, kcal/mol:	-272.21
Dipole, Da:	5.78
IP(EA), eV:	-8.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetyl]amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2CCCS2(=O)=O)NC(=O)C(=O)NCC3CCN(CC3)C(=O)OC

DOS

IR

Vibrations