Geometry & MOs

Info

ID:

187606

PubChem CID:

77596645

Reduced:

SiN5O6C53H73 (1)

Stoich.:

AB5C6D53E73 (1)

Weight, g/mol:

556.341341

ΔHf, kcal/mol:

-285.24

Dipole, Da:

9.59

IP(EA), eV:

 -8.88(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[1-(2-cyclohexylethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(CNCC1=CC=C(C=C1)C(=O)NCCCNCCC(C)(C)OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4CCC(C5C4CCC(=O)N5)OCC6=CC=CC=C6

DOS

IR

Vibrations