Geometry & MOs

Info

ID:

168442

PubChem CID:

74968188

Reduced:

O4N11C28H43 (1)

Stoich.:

A4B11C28D43 (1)

Weight, g/mol:

857.458831

ΔHf, kcal/mol:

-118.83

Dipole, Da:

2.93

IP(EA), eV:

 -9.27(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]methyl N-[2-[4-[2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]acetyl]piperazin-1-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC2=CC=CC=C2)C(=O)N)NC(=O)C3=NC(=NN3)N

DOS

IR

Vibrations