Geometry & MOs

Info

ID:	185263
PubChem CID:	77278113
Reduced:	FSO2N4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	561.320271
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	3.38
IP(EA), eV:	-9.34(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[1-(4-tert-butylphenyl)-2-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]ethenyl]-2-oxopiperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=O)NC2C3C=C(SC3NN2)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations