Geometry & MOs

Info

ID:	416636
PubChem CID:	135089894
Reduced:	NSO2C9H12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	368.044296
ΔH_f, kcal/mol:	-92.41
Dipole, Da:	5.89
IP(EA), eV:	-9.51(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dichlorophenyl)methyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=CC=C(S2)S(=O)(=O)N3CCC[C@@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations