Geometry & MOs

Info

ID:	64593
PubChem CID:	29203137
Reduced:	N2O5C12H16 (1)
Stoich.:	A2B5C12D16 (1)
Weight, g/mol:	496.103911
ΔH_f, kcal/mol:	-192.66
Dipole, Da:	5.68
IP(EA), eV:	-9.6(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)[C@H](C)OC(=O)C1=CC=C(O1)C

DOS

IR

Vibrations