Geometry & MOs

Info

ID:	155065
PubChem CID:	56320636
Reduced:	ClSN4O5C17H21 (1)
Stoich.:	ABC4D5E17F21 (1)
Weight, g/mol:	422.99853
ΔH_f, kcal/mol:	-176.53
Dipole, Da:	9.78
IP(EA), eV:	-8.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[3-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CN(C(=N2)C)C)Cl

DOS

IR

Vibrations