Geometry & MOs

Info

ID:	156342
PubChem CID:	56370199
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	499.196334
ΔH_f, kcal/mol:	-105.37
Dipole, Da:	5.89
IP(EA), eV:	-7.98(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(=O)NC(C)CC(=O)NC2=CC(=CC=C2)N3CCCC3

DOS

IR

Vibrations