Geometry & MOs

Info

ID:	202139
PubChem CID:	79634688
Reduced:	BrSN2O2C14H19 (1)
Stoich.:	ABC2D2E14F19 (1)
Weight, g/mol:	371.0667
ΔH_f, kcal/mol:	-67.2
Dipole, Da:	1.11
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromopyridin-2-yl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CNC1(CCCC(C1)SC2=NC=C(C=C2)Br)C(=O)OC

DOS

IR

Vibrations