Geometry & MOs

Info

ID:	131038
PubChem CID:	51148153
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	394.123025
ΔH_f, kcal/mol:	-134.67
Dipole, Da:	4.85
IP(EA), eV:	-8.99(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-methyl-1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)NCC3CCCO3

DOS

IR

Vibrations