Geometry & MOs

Info

ID:	243532
PubChem CID:	99226451
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	416.119464
ΔH_f, kcal/mol:	-130.03
Dipole, Da:	5.39
IP(EA), eV:	-9.45(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-methyl-2-oxochromen-4-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NCCCO[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations