Geometry & MOs

Info

ID:

92941

PubChem CID:

49990692

Reduced:

NOC7H9 (6)

Stoich.:

ABC7D9 (6)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-233.94

Dipole, Da:

4.26

IP(EA), eV:

 -8.25(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations