Geometry & MOs

Info

ID:

106876

PubChem CID:

50179997

Reduced:

SO5N7C28H39 (1)

Stoich.:

AB5C7D28E39 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-175.87

Dipole, Da:

4.53

IP(EA), eV:

 -9.16(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations