Geometry & MOs

Info

ID:

190411

PubChem CID:

78001023

Reduced:

O3N4C38H68 (1)

Stoich.:

A3B4C38D68 (1)

Weight, g/mol:

621.393043

ΔHf, kcal/mol:

-235.5

Dipole, Da:

9.29

IP(EA), eV:

 -8.15(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[[2-(4-tert-butylphenyl)-3-methylbenzoyl]amino]methyl]-4-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]bicyclo[3.1.1]heptane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)NCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)N(C)C

DOS

IR

Vibrations