Geometry & MOs

Info

ID:	59944
PubChem CID:	26512231
Reduced:	SN2O5C17H26 (1)
Stoich.:	AB2C5D17E26 (1)
Weight, g/mol:	398.207981
ΔH_f, kcal/mol:	-195.94
Dipole, Da:	3.79
IP(EA), eV:	-8.08(0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

C[C@]1(CCS(=O)(=O)C1)NC(=O)CN(C)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations