Geometry & MOs

Info

ID:	155033
PubChem CID:	56314658
Reduced:	FSO2N3C23H28 (1)
Stoich.:	ABC2D3E23F28 (1)
Weight, g/mol:	437.213698
ΔH_f, kcal/mol:	-110.55
Dipole, Da:	4.3
IP(EA), eV:	-8.45(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylphenyl)methyl]-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)CCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations