Geometry & MOs

Info

ID:	122205
PubChem CID:	50798104
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	15.82
Dipole, Da:	7.19
IP(EA), eV:	-9.17(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C2=CC(=NN2C1)C(=O)NCC3=CC=CS3)CC4=CC=CC=C4

DOS

IR

Vibrations