Geometry & MOs

Info

ID:

188212

PubChem CID:

77682178

Reduced:

SN5O7C39H47 (1)

Stoich.:

AB5C7D39E47 (1)

Weight, g/mol:

653.405339

ΔHf, kcal/mol:

-231.58

Dipole, Da:

8.99

IP(EA), eV:

 -9.01(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(7-methyl-1H-indazol-5-yl)methyl]-1-(2-methyl-4-piperidin-4-ylpiperidin-1-yl)-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C2C(=O)N(C(=O)N2)CC3=NC4=CC=CC=C4C=C3)C(C)C)O)S(=O)(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations