Geometry & MOs

Info

ID:	302251
PubChem CID:	124360896
Reduced:	N3O7C19H21 (1)
Stoich.:	A3B7C19D21 (1)
Weight, g/mol:	478.174001
ΔH_f, kcal/mol:	-285.96
Dipole, Da:	6.5
IP(EA), eV:	-9.79(-0.27)
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]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCC(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations