Geometry & MOs

Info

ID:	33620
PubChem CID:	7887245
Reduced:	NSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	383.112605
ΔH_f, kcal/mol:	-109.22
Dipole, Da:	4.37
IP(EA), eV:	-9.05(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)COC(=O)C1=CC2=CC=CC=C2S1

DOS

IR

Vibrations