Geometry & MOs

Info

ID:

95122

PubChem CID:

50006488

Reduced:

ClO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-201.99

Dipole, Da:

11.18

IP(EA), eV:

 -8.7(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-5-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4)Cl

DOS

IR

Vibrations