Geometry & MOs

Info

ID:	155147
PubChem CID:	56320812
Reduced:	SN3O4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	358.180504
ΔH_f, kcal/mol:	-104.82
Dipole, Da:	4.05
IP(EA), eV:	-8.4(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CO2)CCNC(=O)C(CCSC)NC(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations