Geometry & MOs

Info

ID:	33596
PubChem CID:	7887116
Reduced:	ClFN2O4H14C16 (1)
Stoich.:	ABC2D4E14F16 (1)
Weight, g/mol:	371.112605
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	7.13
IP(EA), eV:	-9.8(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(4-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)F)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations