Geometry & MOs

Info

ID:	29154
PubChem CID:	832023
Reduced:	ClSN2O2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	330.149891
ΔH_f, kcal/mol:	-42.01
Dipole, Da:	1.63
IP(EA), eV:	-8.42(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-2-(4-tert-butylphenyl)cyclopropyl]-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC=C(C=C3)Cl

DOS

IR

Vibrations