Geometry & MOs

Info

ID:

119797

PubChem CID:

50701940

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

714.306324

ΔHf, kcal/mol:

-188.85

Dipole, Da:

8.94

IP(EA), eV:

 -8.81(-0.75)

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-(butan-2-ylcarbamoyl)-3-chlorophenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC=C1C(=O)NC(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations