Geometry & MOs

Info

ID:	282251
PubChem CID:	103920126
Reduced:	NSBr2O2C9H11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-56.07
Dipole, Da:	3.62
IP(EA), eV:	-9.8(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-hydroxybutan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)C1=C(SC(=C1)Br)Br

DOS

IR

Vibrations