Geometry & MOs

Info

ID:	130013
PubChem CID:	51074603
Reduced:	SO3N4C16H16 (1)
Stoich.:	AB3C4D16E16 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-53.86
Dipole, Da:	6.24
IP(EA), eV:	-9.28(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-[2-[methyl(2-propan-2-yloxyethyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1=CC2=NC(=CC(=O)N2C=C1)NCCC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations