Geometry & MOs

Info

ID:

112638

PubChem CID:

50414142

Reduced:

O5N6C30H38 (1)

Stoich.:

A5B6C30D38 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-193.88

Dipole, Da:

5.13

IP(EA), eV:

 -8.39(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C)C(=O)NC

DOS

IR

Vibrations