Geometry & MOs

Info

ID:	246633
PubChem CID:	103064093
Reduced:	BrSN2O3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	300.150764
ΔH_f, kcal/mol:	-110.29
Dipole, Da:	2.19
IP(EA), eV:	-8.87(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[methyl(thiolan-3-ylcarbamoyl)amino]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)NC2=C(C=CC(=C2)Br)C(=O)O

DOS

IR

Vibrations