Geometry & MOs

Info

ID:	292013
PubChem CID:	114112924
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	326.04523
ΔH_f, kcal/mol:	-121.95
Dipole, Da:	5.71
IP(EA), eV:	-9.83(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(1-propan-2-ylcyclopropyl)methylamino]benzenecarbothioamide

Drug info:

PubChemData

Smile

COCCC1(CC1)CNC(=O)C2COCC2N

DOS

IR

Vibrations