Geometry & MOs

Info

ID:	156344
PubChem CID:	56370204
Reduced:	FSO2N4C25H27 (1)
Stoich.:	ABC2D4E25F27 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-80.66
Dipole, Da:	3.0
IP(EA), eV:	-8.01(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(4-acetamidophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)NC(C)CC(=O)NC3=CC(=CC=C3)N4CCCC4

DOS

IR

Vibrations