Geometry & MOs

Info

ID:	77385
PubChem CID:	48427434
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	1.43
Dipole, Da:	7.39
IP(EA), eV:	-9.33(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC#C)C(=O)C2CC(=O)N(C2)C3CC3

DOS

IR

Vibrations