Geometry & MOs

Info

ID:

114210

PubChem CID:

50474308

Reduced:

FN6O6C41H45 (1)

Stoich.:

AB6C6D41E45 (1)

Weight, g/mol:

760.351525

ΔHf, kcal/mol:

-237.0

Dipole, Da:

8.93

IP(EA), eV:

 -8.43(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)C)F)OC

DOS

IR

Vibrations