Geometry & MOs

Info

ID:	163971
PubChem CID:	74381127
Reduced:	ClS2N4O5C18H19 (1)
Stoich.:	AB2C4D5E18F19 (1)
Weight, g/mol:	543.134318
ΔH_f, kcal/mol:	-111.56
Dipole, Da:	9.36
IP(EA), eV:	-9.74(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[[2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyiminoacetyl]amino]pyrazol-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=C(C=C1)C(=NOC2CCCC2)C(=O)NC3=NC=C(S3)C(=O)N)Cl

DOS

IR

Vibrations