Geometry & MOs

Info

ID:	126666
PubChem CID:	50972853
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-24.14
Dipole, Da:	6.82
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(benzimidazol-1-yl)propanoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NC(=N2)C3CC3)CC4CCS(=O)(=O)C4)C

DOS

IR

Vibrations