Geometry & MOs

Info

ID:	141221
PubChem CID:	52841207
Reduced:	N3O5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	458.98467
ΔH_f, kcal/mol:	-127.71
Dipole, Da:	4.26
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-iodo-2-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)NCC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations