Geometry & MOs

Info

ID:	440989
PubChem CID:	135232593
Reduced:	N2S2O6H30C49 (1)
Stoich.:	A2B2C6D30E49 (1)
Weight, g/mol:	193.067369
ΔH_f, kcal/mol:	-10.86
Dipole, Da:	10.61
IP(EA), eV:	-8.79(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-[amino-(4-methylphenyl)methylidene]thiourea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2(=O)=O)C4=CC=C(C=C4)C5=CC6=C(C=C5)C(=O)C7=C(C=CC=C7O6)C8=CC=C(C=C8)N9C1=CC=CC=C1S(=O)(=O)C1=CC=CC=C19

DOS

IR

Vibrations