Geometry & MOs

Info

ID:	348125
PubChem CID:	127273187
Reduced:	SO3N5C14H17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	386.188881
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	8.72
IP(EA), eV:	-9.21(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-[4-(triazol-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C(=O)NC2=CC=C(C=C2)N3C=CN=N3

DOS

IR

Vibrations