Geometry & MOs

Info

ID:

179219

PubChem CID:

76452946

Reduced:

N6O10C39H68 (1)

Stoich.:

A6B10C39D68 (1)

Weight, g/mol:

486.272987

ΔHf, kcal/mol:

-534.66

Dipole, Da:

5.67

IP(EA), eV:

 -9.79(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(3-aminopropoxyiminomethyl)-4b,8-dimethyl-2-propan-2-yl-6,7,8a,10-tetrahydro-5H-phenanthren-9-one;but-2-enedioic acid

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)O)NC(=O)CC1COCC=CCOCC(CC(=O)NC(CC(=O)NC(CC(=O)N1)C(C)C)C(C)C)NC(=O)CC(C(C)C)NC(=O)C

DOS

IR

Vibrations