Geometry & MOs

Info

ID:

106154

PubChem CID:

50151070

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-205.26

Dipole, Da:

7.71

IP(EA), eV:

 -8.97(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(dimethylcarbamoyl)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=CC(=C1)C(=O)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations