Geometry & MOs

Info

ID:	33668
PubChem CID:	7887392
Reduced:	SN2O5H14C18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	397.128255
ΔH_f, kcal/mol:	-70.45
Dipole, Da:	5.02
IP(EA), eV:	-9.04(-1.43)
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-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations