Geometry & MOs

Info

ID:	244679
PubChem CID:	99376393
Reduced:	SN4O4C21H24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	-103.65
Dipole, Da:	11.72
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)/C=C/C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations