Geometry & MOs

Info

ID:

105952

PubChem CID:

50144009

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-192.14

Dipole, Da:

7.4

IP(EA), eV:

 -8.79(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations