Geometry & MOs

Info

ID:

107840

PubChem CID:

50220591

Reduced:

F2N5O6C33H37 (1)

Stoich.:

A2B5C6D33E37 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-287.88

Dipole, Da:

11.91

IP(EA), eV:

 -8.83(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]-4-methylphenyl]-1-[1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations