Geometry & MOs

Info

ID:	49539
PubChem CID:	11533204
Reduced:	N2S2O5C21H26 (1)
Stoich.:	A2B2C5D21E26 (1)
Weight, g/mol:	486.032017
ΔH_f, kcal/mol:	-123.63
Dipole, Da:	3.39
IP(EA), eV:	-9.01(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

DOS

IR

Vibrations