Geometry & MOs

Info

ID:	33677
PubChem CID:	7887444
Reduced:	OS3N4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	406.113333
ΔH_f, kcal/mol:	55.76
Dipole, Da:	4.17
IP(EA), eV:	-8.89(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C

DOS

IR

Vibrations