Geometry & MOs

Info

ID:

91602

PubChem CID:

49977281

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-230.58

Dipole, Da:

6.86

IP(EA), eV:

 -8.88(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(cyclohexanecarbonylamino)anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC(C)C)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C

DOS

IR

Vibrations