Geometry & MOs

Info

ID:

116063

PubChem CID:

50545334

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

734.335875

ΔHf, kcal/mol:

-190.67

Dipole, Da:

11.07

IP(EA), eV:

 -8.72(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-[(4-fluorophenyl)methylcarbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CC(=C5)C)Cl

DOS

IR

Vibrations