Geometry & MOs

Info

ID:	34035
PubChem CID:	7889503
Reduced:	O2S2N4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	400.102768
ΔH_f, kcal/mol:	-21.51
Dipole, Da:	1.42
IP(EA), eV:	-9.08(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)[C@@H](C)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations