Geometry & MOs

Info

ID:	37014
PubChem CID:	8016138
Reduced:	NSO4H19C21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	-102.33
Dipole, Da:	5.52
IP(EA), eV:	-8.8(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxypropyl)-2-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NCCC4=CSC=C4)C

DOS

IR

Vibrations