Geometry & MOs

Info

ID:	77950
PubChem CID:	49681177
Reduced:	ClO2S2N5C15H16 (1)
Stoich.:	AB2C2D5E15F16 (1)
Weight, g/mol:	340.021931
ΔH_f, kcal/mol:	-6.55
Dipole, Da:	10.02
IP(EA), eV:	-8.73(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-cyclopropylurea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)NC3CC3)Cl

DOS

IR

Vibrations