Geometry & MOs

Info

ID:	33659
PubChem CID:	7887362
Reduced:	SN3O5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	406.056961
ΔH_f, kcal/mol:	-149.49
Dipole, Da:	2.56
IP(EA), eV:	-8.88(-1.18)
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-fluoro-3-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)COC(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations