Geometry & MOs

Info

ID:

297275

PubChem CID:

117614338

Reduced:

N4O5C28H38 (1)

Stoich.:

A4B5C28D38 (1)

Weight, g/mol:

465.299142

ΔHf, kcal/mol:

-186.92

Dipole, Da:

1.57

IP(EA), eV:

 -8.12(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S)-3-[4-[bis(2-methylpropyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)[C@@H]3C[C@@H]3C(=O)O)N(CC(C)C)CC(C)C

DOS

IR

Vibrations