Geometry & MOs

Info

ID:

95466

PubChem CID:

50009550

Reduced:

O5N6C31H40 (1)

Stoich.:

A5B6C31D40 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-202.62

Dipole, Da:

7.88

IP(EA), eV:

 -8.24(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[2-(4-fluorophenyl)acetyl]amino]-3-methylphenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C)C

DOS

IR

Vibrations