Geometry & MOs

Info

ID:

107693

PubChem CID:

50215083

Reduced:

ClO5N6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-161.01

Dipole, Da:

7.88

IP(EA), eV:

 -8.87(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations