Geometry & MOs

Info

ID:	334116
PubChem CID:	127252668
Reduced:	ClNO6C20H22 (1)
Stoich.:	ABC6D20E22 (1)
Weight, g/mol:	655.336984
ΔH_f, kcal/mol:	-204.34
Dipole, Da:	5.67
IP(EA), eV:	-8.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[5-(1H-benzimidazol-2-yl)pentyl]butanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)N4CCOCC4

DOS

IR

Vibrations