Geometry & MOs

Info

ID:	302238
PubChem CID:	124360844
Reduced:	N4O6C19H24 (1)
Stoich.:	A4B6C19D24 (1)
Weight, g/mol:	518.205301
ΔH_f, kcal/mol:	-262.09
Dipole, Da:	12.64
IP(EA), eV:	-10.02(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)CN1C(=O)C2=CC=CC=C2NC1=O

DOS

IR

Vibrations