Geometry & MOs

Info

ID:

115848

PubChem CID:

50536446

Reduced:

ClN5O5C31H38 (1)

Stoich.:

AB5C5D31E38 (1)

Weight, g/mol:

702.293261

ΔHf, kcal/mol:

-190.86

Dipole, Da:

9.78

IP(EA), eV:

 -8.81(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(4-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)C)Cl

DOS

IR

Vibrations