Geometry & MOs

Info

ID:	58070
PubChem CID:	24423873
Reduced:	S2O5N6C14H22 (1)
Stoich.:	A2B5C6D14E22 (1)
Weight, g/mol:	412.025974
ΔH_f, kcal/mol:	-75.27
Dipole, Da:	6.24
IP(EA), eV:	-8.99(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)-3-(2-nitro-4-sulfamoylanilino)thiourea

Drug info:

PubChemData

Smile

C1COCCN1CCCNC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations