Geometry & MOs

Info

ID:	58083
PubChem CID:	24423928
Reduced:	S2O4N5C18H23 (1)
Stoich.:	A2B4C5D18E23 (1)
Weight, g/mol:	451.134797
ΔH_f, kcal/mol:	-30.31
Dipole, Da:	5.9
IP(EA), eV:	-8.81(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-(2-phenylethyl)thiourea

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=S)NC2=CC=C(C=C2)C

DOS

IR

Vibrations