Geometry & MOs

Info

ID:

106130

PubChem CID:

50150206

Reduced:

O5N6C39H48 (1)

Stoich.:

A5B6C39D48 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-195.99

Dipole, Da:

11.86

IP(EA), eV:

 -8.21(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-methyl-3-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC4)C)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations