Geometry & MOs

Info

ID:

113064

PubChem CID:

50430555

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

764.349775

ΔHf, kcal/mol:

-203.18

Dipole, Da:

2.2

IP(EA), eV:

 -8.84(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations