Geometry & MOs

Info

ID:	195041
PubChem CID:	78626369
Reduced:	ClSO2N3H20C21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	388.084141
ΔH_f, kcal/mol:	-5.23
Dipole, Da:	5.6
IP(EA), eV:	-8.41(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-(2-nitrophenyl)thiourea

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)C=C3C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations