Geometry & MOs

Info

ID:	33831
PubChem CID:	7888338
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	409.091869
ΔH_f, kcal/mol:	-158.26
Dipole, Da:	5.64
IP(EA), eV:	-8.69(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(furan-2-ylmethyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)CN3CCCC3=O)C

DOS

IR

Vibrations