Geometry & MOs

Info

ID:	382810
PubChem CID:	134974173
Reduced:	N2S3O7C27H34 (1)
Stoich.:	A2B3C7D27E34 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-229.92
Dipole, Da:	11.79
IP(EA), eV:	-8.87(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butoxy-3-[(E)-1-phenylethylideneamino]oxypropan-2-ol

Drug info:

PubChemData

Smile

CC1(C2CCC13CS(=O)(=O)N(C3C2)C(=O)C(CC4=CC(=O)OC5=CC(=C(C=C45)OC)OC)N=C(SC)SC)C

DOS

IR

Vibrations