Geometry & MOs

Info

ID:

219735

PubChem CID:

85164715

Reduced:

SO6C34H40 (1)

Stoich.:

AB6C34D40 (1)

Weight, g/mol:

576.403942

ΔHf, kcal/mol:

-188.36

Dipole, Da:

3.31

IP(EA), eV:

 -8.61(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methyl-1-[[2-methyl-1-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]propan-2-yl]amino]-1-oxopentan-2-yl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=C(C(=O)C)SC1C(C(C(OC1OC)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C

DOS

IR

Vibrations