Geometry & MOs

Info

ID:	230355
PubChem CID:	87570706
Reduced:	O2S3N4C21H28 (1)
Stoich.:	A2B3C4D21E28 (1)
Weight, g/mol:	373.089641
ΔH_f, kcal/mol:	-28.42
Dipole, Da:	2.63
IP(EA), eV:	-8.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(=O)N)N1CCC(CC1)N(CC2=CSC=C2)C(=O)C(S)SC3=CC=NC=C3

DOS

IR

Vibrations