Geometry & MOs

Info

ID:

97166

PubChem CID:

50028301

Reduced:

NOC7H8 (6)

Stoich.:

ABC7D8 (6)

Weight, g/mol:

736.313996

ΔHf, kcal/mol:

-190.47

Dipole, Da:

13.84

IP(EA), eV:

 -8.55(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations