Geometry & MOs

Info

ID:	302234
PubChem CID:	124360826
Reduced:	N4O6C21H22 (1)
Stoich.:	A4B6C21D22 (1)
Weight, g/mol:	490.210387
ΔH_f, kcal/mol:	-210.68
Dipole, Da:	8.0
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7R)-1,2,3-trimethoxy-10-(4-methoxyanilino)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Drug info:

PubChemData

Smile

C1C(=O)NC2=CC=CC=C2N1C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations