Geometry & MOs

Info

ID:	33838
PubChem CID:	7888375
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	408.107854
ΔH_f, kcal/mol:	-185.36
Dipole, Da:	9.27
IP(EA), eV:	-8.56(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1[C@@H](C)COC)C)C(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O

DOS

IR

Vibrations