Geometry & MOs

Info

ID:	361827
PubChem CID:	127304733
Reduced:	SN2O5C15H18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	361.00958
ΔH_f, kcal/mol:	-176.88
Dipole, Da:	5.75
IP(EA), eV:	-8.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CC2C(=O)NC3=CC=CC=C3O2

DOS

IR

Vibrations