Geometry & MOs

Info

ID:	264993
PubChem CID:	103506591
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	328.12792
ΔH_f, kcal/mol:	-100.96
Dipole, Da:	6.35
IP(EA), eV:	-8.18(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-propan-2-yloxythiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C2=C(C(=C(S2)C(=O)C3CC3)N)OC)O

DOS

IR

Vibrations