Geometry & MOs

Info

ID:	58147
PubChem CID:	24424387
Reduced:	OS2N3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	383.112605
ΔH_f, kcal/mol:	65.82
Dipole, Da:	5.77
IP(EA), eV:	-8.46(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(oxolan-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations