Geometry & MOs

Info

ID:	77946
PubChem CID:	49681154
Reduced:	S2O3N5C13H13 (1)
Stoich.:	A2B3C5D13E13 (1)
Weight, g/mol:	255.024852
ΔH_f, kcal/mol:	58.62
Dipole, Da:	9.49
IP(EA), eV:	-9.12(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations