Geometry & MOs

Info

ID:	34018
PubChem CID:	7889451
Reduced:	OS2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	378.082033
ΔH_f, kcal/mol:	11.27
Dipole, Da:	1.93
IP(EA), eV:	-8.7(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-ethyl-2-oxo-6-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)SC2=NC=NC3=C2C=CS3)C

DOS

IR

Vibrations