Geometry & MOs

Info

ID:	58071
PubChem CID:	24423880
Reduced:	S2N6O6H12C13 (1)
Stoich.:	A2B6C6D12E13 (1)
Weight, g/mol:	387.103497
ΔH_f, kcal/mol:	-2.58
Dipole, Da:	6.19
IP(EA), eV:	-9.59(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations