Geometry & MOs

Info

ID:	69546
PubChem CID:	47193725
Reduced:	ClFON2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	-60.5
Dipole, Da:	2.5
IP(EA), eV:	-8.68(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NCC2=CC=CC=C2F)Cl

DOS

IR

Vibrations