Geometry & MOs

Info

ID:	302400
PubChem CID:	124361579
Reduced:	N3O6H23C26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	498.272987
ΔH_f, kcal/mol:	-188.82
Dipole, Da:	2.96
IP(EA), eV:	-9.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)N3C(=O)C4=CC=CC=C4NC3=O

DOS

IR

Vibrations