Geometry & MOs

Info

ID:	202162
PubChem CID:	79637890
Reduced:	BrNSO2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	357.03981
ΔH_f, kcal/mol:	-78.52
Dipole, Da:	2.73
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-bromophenyl)sulfanyl-1-(methylamino)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)SC2=CC=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations