Geometry & MOs

Info

ID:	166064
PubChem CID:	74632226
Reduced:	N2O2C25H26 (1)
Stoich.:	A2B2C25D26 (1)
Weight, g/mol:	455.090824
ΔH_f, kcal/mol:	-41.76
Dipole, Da:	4.92
IP(EA), eV:	-9.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2CCCN(C2)C(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations