Geometry & MOs

Info

ID:

83612

PubChem CID:

49858850

Reduced:

N2O7C30H38 (1)

Stoich.:

A2B7C30D38 (1)

Weight, g/mol:

461.220223

ΔHf, kcal/mol:

-232.16

Dipole, Da:

6.32

IP(EA), eV:

 -8.62(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9S)-13,14-dimethoxy-5-methyl-9-pentyl-4-phenyl-8,17-dioxa-4-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),5,11,13,15-pentaen-3-one

Drug info:

PubChemData

Smile

CC(=CCCC(=CCON=C1C[C@H]([C@H]([C@H]2[C@@H]1CC[C@@H]3[C@@H]2C(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5)O)O)C)C

DOS

IR

Vibrations