Geometry & MOs

Info

ID:	180317
PubChem CID:	76615073
Reduced:	BrO2S2N6H15C18 (1)
Stoich.:	AB2C2D6E15F18 (1)
Weight, g/mol:	554.931706
ΔH_f, kcal/mol:	104.52
Dipole, Da:	5.03
IP(EA), eV:	-8.76(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;1-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-3-[4-[dihydroxy(oxido)-lambda4-sulfanyl]phenyl]thiourea

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC=C(S1)C2=NNNN2)C3=CSC(=C3O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations