Geometry & MOs

Info

ID:	37244
PubChem CID:	8018703
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	361.158589
ΔH_f, kcal/mol:	-19.11
Dipole, Da:	1.19
IP(EA), eV:	-8.1(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

COCCN=C1N(C(=CS1)C2=CC=CC=C2)NC=C3C=C(C(=O)C(=C3)OC)OC

DOS

IR

Vibrations