Geometry & MOs

Info

ID:	155846
PubChem CID:	56367815
Reduced:	BrO3N4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	496.178041
ΔH_f, kcal/mol:	-22.71
Dipole, Da:	4.68
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-(3,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)NC(=O)CNC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations