Geometry & MOs

Info

ID:

326418

PubChem CID:

126687511

Reduced:

N9O13C52H77 (1)

Stoich.:

A9B13C52D77 (1)

Weight, g/mol:

402.292266

ΔHf, kcal/mol:

-583.52

Dipole, Da:

3.88

IP(EA), eV:

 -9.09(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[3-[(3E,5Z)-3-ethenyl-2-methylocta-3,5-dien-2-yl]phenyl]propan-2-yl]-7,7-dimethylcyclohepta-1,3,5-trien-1-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)NCC(=O)N4CCC[C@@H]4C(=O)O)O)N

DOS

IR

Vibrations