Geometry & MOs

Info

ID:	18195
PubChem CID:	538871
Reduced:	SO2N3C25H35 (1)
Stoich.:	AB2C3D25E35 (1)
Weight, g/mol:	441.244999
ΔH_f, kcal/mol:	-22.61
Dipole, Da:	4.48
IP(EA), eV:	-8.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-heptoxyphenyl)methylideneamino]-N'-[(4-propan-2-yloxyphenyl)methyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C=NNC(=NCC2=CC=C(C=C2)OC(C)C)S

DOS

IR

Vibrations