Geometry & MOs

Info

ID:	58082
PubChem CID:	24423916
Reduced:	S2N3O4C20H27 (1)
Stoich.:	A2B3C4D20E27 (1)
Weight, g/mol:	437.119147
ΔH_f, kcal/mol:	-118.74
Dipole, Da:	4.47
IP(EA), eV:	-8.76(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCCNC(=S)NC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations