Geometry & MOs

Info

ID:	285147
PubChem CID:	104098360
Reduced:	SN3O3H11C12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	292.063011
ΔH_f, kcal/mol:	6.21
Dipole, Da:	4.86
IP(EA), eV:	-9.04(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(5-nitrothiophen-2-yl)methylamino]phenyl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=CC=C(S2)[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations