Geometry & MOs

Info

ID:	69956
PubChem CID:	47205939
Reduced:	ClOSN4C12H13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	310.06551
ΔH_f, kcal/mol:	12.04
Dipole, Da:	2.38
IP(EA), eV:	-9.32(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chlorophenyl)propan-2-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)Cl)NC(=O)NC2=NN=CS2

DOS

IR

Vibrations