Geometry & MOs

Info

ID:

92302

PubChem CID:

49985080

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

708.376597

ΔHf, kcal/mol:

-229.46

Dipole, Da:

12.53

IP(EA), eV:

 -8.91(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(diethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C(=O)NC)Cl

DOS

IR

Vibrations