Geometry & MOs

Info

ID:

53981

PubChem CID:

14718487

Reduced:

O11N16C58H84 (1)

Stoich.:

A11B16C58D84 (1)

Weight, g/mol:

465.300972

ΔHf, kcal/mol:

-428.05

Dipole, Da:

8.79

IP(EA), eV:

 -8.82(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-7-[(1S,2S,3S,5R)-3-[[2-(3-butylcyclopentyl)-2-chloroacetyl]amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CN=CN4)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations