Geometry & MOs

Info

ID:	77945
PubChem CID:	49681153
Reduced:	OS2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	351.045982
ΔH_f, kcal/mol:	45.39
Dipole, Da:	2.44
IP(EA), eV:	-8.85(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)NC3CC3

DOS

IR

Vibrations