Geometry & MOs

Info

ID:	49527
PubChem CID:	11533186
Reduced:	ClSF2N3O3C22H26 (1)
Stoich.:	ABC2D3E3F22G26 (1)
Weight, g/mol:	485.048001
ΔH_f, kcal/mol:	-198.19
Dipole, Da:	4.41
IP(EA), eV:	-9.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-thiophen-3-ylpyrazol-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCC(CC1)(CNC(=O)C2=C(C=CC(=C2Cl)F)F)C3=CC=CC(=N3)C

DOS

IR

Vibrations