Geometry & MOs

Info

ID:	149675
PubChem CID:	53789349
Reduced:	SF2O5N6C19H22 (1)
Stoich.:	AB2C5D6E19F22 (1)
Weight, g/mol:	326.065989
ΔH_f, kcal/mol:	-225.95
Dipole, Da:	9.48
IP(EA), eV:	-9.23(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-yl)-3-[(1R,2S)-2-pyridin-2-ylcyclopropyl]thiourea

Drug info:

PubChemData

Smile

CC(=O)N(C1=C(C(=O)NC=C1)NS(=O)(=O)C2=C(C=CC=C2F)F)[C@@H](CCCN=C(N)N)C=O

DOS

IR

Vibrations