Geometry & MOs

Info

ID:	33653
PubChem CID:	7887350
Reduced:	NSO3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	397.053039
ΔH_f, kcal/mol:	-71.31
Dipole, Da:	1.22
IP(EA), eV:	-8.88(-1.2)
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-(2,3,4-trifluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations