Geometry & MOs

Info

ID:

107683

PubChem CID:

50214654

Reduced:

N6O6C29H38 (1)

Stoich.:

A6B6C29D38 (1)

Weight, g/mol:

608.332233

ΔHf, kcal/mol:

-234.5

Dipole, Da:

6.89

IP(EA), eV:

 -8.4(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-methoxy-3-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C

DOS

IR

Vibrations