Geometry & MOs

Info

ID:

95001

PubChem CID:

50005618

Reduced:

ClO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-172.22

Dipole, Da:

6.84

IP(EA), eV:

 -8.79(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations