Geometry & MOs

Info

ID:	33618
PubChem CID:	7887240
Reduced:	OS2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	371.112605
ΔH_f, kcal/mol:	16.19
Dipole, Da:	1.34
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@@H](C)C(=O)N(C)CC3=CC=CC=C3)C

DOS

IR

Vibrations