Geometry & MOs

Info

ID:	334511
PubChem CID:	127253186
Reduced:	NOC7H8 (4)
Stoich.:	ABC7D8 (4)
Weight, g/mol:	506.168916
ΔH_f, kcal/mol:	-75.82
Dipole, Da:	11.62
IP(EA), eV:	-7.06(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene]ethyl]amino]phenyl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

CC(CCCN1C(=O)C(C2CC1(OC3=CC=CC=C23)C)C(=O)N)NC4=C5C(=CC(=C4)OC)C=CC=N5

DOS

IR

Vibrations