Geometry & MOs

Info

ID:	156550
PubChem CID:	56371094
Reduced:	SN4O4C25H34 (1)
Stoich.:	AB4C4D25E34 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-154.31
Dipole, Da:	5.02
IP(EA), eV:	-7.93(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-hydroxyphenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)C)C(=O)NC(C)CC(=O)NC2=CC(=CC=C2)N3CCCC3

DOS

IR

Vibrations