Geometry & MOs

Info

ID:

119790

PubChem CID:

50701270

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

730.324561

ΔHf, kcal/mol:

-182.29

Dipole, Da:

5.22

IP(EA), eV:

 -8.76(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(2-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)Cl

DOS

IR

Vibrations