Geometry & MOs

Info

ID:	230902
PubChem CID:	87572225
Reduced:	SN2O2C11H12 (2)
Stoich.:	AB2C2D11E12 (2)
Weight, g/mol:	373.089641
ΔH_f, kcal/mol:	-55.95
Dipole, Da:	6.51
IP(EA), eV:	-9.31(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(C(=O)NC3=NC4=C(S3)N=CC=C4)OC5CCNCC5

DOS

IR

Vibrations