Geometry & MOs

Info

ID:	335862
PubChem CID:	127254724
Reduced:	SO3N6C13H14 (1)
Stoich.:	AB3C6D13E14 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	9.82
Dipole, Da:	6.52
IP(EA), eV:	-8.99(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NNC(=S)N1N2C=C3C(=NNC3=O)C(=C2)C(=O)OC

DOS

IR

Vibrations