Geometry & MOs

Info

ID:

109376

PubChem CID:

50282220

Reduced:

F2O4N5C30H31 (1)

Stoich.:

A2B4C5D30E31 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-214.02

Dipole, Da:

7.18

IP(EA), eV:

 -9.11(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations