Geometry & MOs

Info

ID:	162311
PubChem CID:	57394262
Reduced:	O4C29H42 (1)
Stoich.:	A4B29C42 (1)
Weight, g/mol:	547.108103
ΔH_f, kcal/mol:	-203.52
Dipole, Da:	7.2
IP(EA), eV:	-8.88(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-aminopyridin-4-yl)methyl]-N-benzylsulfonyl-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC2=C(C(=CC=C2)O)C(=O)O

DOS

IR

Vibrations