Geometry & MOs

Info

ID:

110529

PubChem CID:

50328707

Reduced:

SO3N6C22H30 (1)

Stoich.:

AB3C6D22E30 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-82.7

Dipole, Da:

0.87

IP(EA), eV:

 -8.89(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-[1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=NN=C(S3)C)C(=O)N(C)C

DOS

IR

Vibrations