Geometry & MOs

Info

ID:

91905

PubChem CID:

49979986

Reduced:

N6O7C41H58 (1)

Stoich.:

A6B7C41D58 (1)

Weight, g/mol:

716.426134

ΔHf, kcal/mol:

-309.34

Dipole, Da:

2.53

IP(EA), eV:

 -8.7(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexanecarbonylamino)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations