Geometry & MOs

Info

ID:

91667

PubChem CID:

49978083

Reduced:

ClN6O6C30H37 (1)

Stoich.:

AB6C6D30E37 (1)

Weight, g/mol:

668.308911

ΔHf, kcal/mol:

-232.93

Dipole, Da:

2.06

IP(EA), eV:

 -9.24(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations