Geometry & MOs

Info

ID:

219294

PubChem CID:

85098515

Reduced:

N3O10C38H59 (1)

Stoich.:

A3B10C38D59 (1)

Weight, g/mol:

717.338101

ΔHf, kcal/mol:

-500.43

Dipole, Da:

3.32

IP(EA), eV:

 -8.92(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1CC(CC1C(=O)OC(C)(C)C)N(C2CC(N(C2)CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations