Geometry & MOs

Info

ID:

116705

PubChem CID:

50572082

Reduced:

ClN5O5C31H42 (1)

Stoich.:

AB5C5D31E42 (1)

Weight, g/mol:

597.271797

ΔHf, kcal/mol:

-213.78

Dipole, Da:

7.16

IP(EA), eV:

 -8.94(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)OC)Cl

DOS

IR

Vibrations