Geometry & MOs

Info

ID:	58087
PubChem CID:	24423935
Reduced:	S2N5O5C14H23 (1)
Stoich.:	A2B5C5D14E23 (1)
Weight, g/mol:	451.134797
ΔH_f, kcal/mol:	-95.16
Dipole, Da:	5.64
IP(EA), eV:	-9.02(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-(2,6-dimethylphenyl)thiourea

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=S)NCCOC

DOS

IR

Vibrations