Geometry & MOs

Info

ID:	49586
PubChem CID:	11533316
Reduced:	S2N4O5H18C23 (1)
Stoich.:	A2B4C5D18E23 (1)
Weight, g/mol:	494.162391
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	5.78
IP(EA), eV:	-8.72(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-3-[(5-ethynylthiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=C(S4)C5=NOC=C5

DOS

IR

Vibrations