Geometry & MOs

Info

ID:	33664
PubChem CID:	7887372
Reduced:	SN4O4C18H30 (1)
Stoich.:	AB4C4D18E30 (1)
Weight, g/mol:	368.076553
ΔH_f, kcal/mol:	-185.23
Dipole, Da:	3.9
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-cyanophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@@H](CC(C)C)NC(=O)N)C

DOS

IR

Vibrations