Geometry & MOs

Info

ID:	155750
PubChem CID:	56367320
Reduced:	N2S2O5C22H26 (1)
Stoich.:	A2B2C5D22E26 (1)
Weight, g/mol:	420.120047
ΔH_f, kcal/mol:	-167.52
Dipole, Da:	3.71
IP(EA), eV:	-8.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2SC4=CC=CC=C4)OCCO3

DOS

IR

Vibrations