Geometry & MOs

Info

ID:	167654
PubChem CID:	74853303
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	499.177707
ΔH_f, kcal/mol:	15.67
Dipole, Da:	6.46
IP(EA), eV:	-8.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)NN=C2N(C3=CC=CC=C3S2)C

DOS

IR

Vibrations