Geometry & MOs

Info

ID:	392280
PubChem CID:	135014106
Reduced:	SO2N5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	463.159745
ΔH_f, kcal/mol:	38.01
Dipole, Da:	2.72
IP(EA), eV:	-9.29(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-1-[(5-phenyl-1,2,4-triazin-3-yl)-prop-2-enylamino]cyclopentane-1-carbothioamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)C(CC(C)C)N(CC=C)C2=NC(=CN=N2)C3=CC=CC=C3

DOS

IR

Vibrations