Geometry & MOs

Info

ID:	447583
PubChem CID:	135284000
Reduced:	FS2N5O7C31H32 (1)
Stoich.:	AB2C5D7E31F32 (1)
Weight, g/mol:	345.948491
ΔH_f, kcal/mol:	-206.25
Dipole, Da:	14.09
IP(EA), eV:	-8.73(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-formylphenyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN(C2=NC=NS2)S(=O)(=O)C3=CC4=C(C=C3)[C@H](CCO4)N5CCN(C[C@H]5C6=CC=C(C=C6)F)C(=O)O)OC

DOS

IR

Vibrations