Geometry & MOs

Info

ID:	287931
PubChem CID:	104300321
Reduced:	BrNSO4C13H16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	323.00918
ΔH_f, kcal/mol:	-156.89
Dipole, Da:	2.9
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-bromo-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)S(=O)(=O)N)C(=O)OC2CCCC2

DOS

IR

Vibrations