Geometry & MOs

Info

ID:	58140
PubChem CID:	24424285
Reduced:	S2N4O4C23H26 (1)
Stoich.:	A2B4C4D23E26 (1)
Weight, g/mol:	355.990152
ΔH_f, kcal/mol:	-86.37
Dipole, Da:	3.35
IP(EA), eV:	-8.87(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-3-nitrophenyl)-3-(2,4-dichlorophenyl)thiourea

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O

DOS

IR

Vibrations