Geometry & MOs

Info

ID:	161033
PubChem CID:	57390577
Reduced:	N2O5H28C29 (1)
Stoich.:	A2B5C28D29 (1)
Weight, g/mol:	513.215138
ΔH_f, kcal/mol:	-130.36
Dipole, Da:	3.92
IP(EA), eV:	-8.17(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-[(3,4-dimethoxyphenyl)methyl]-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C(=C2)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations