Geometry & MOs

Info

ID:	37535
PubChem CID:	8021982
Reduced:	OSN6C12H18 (1)
Stoich.:	ABC6D12E18 (1)
Weight, g/mol:	326.11611
ΔH_f, kcal/mol:	38.45
Dipole, Da:	3.07
IP(EA), eV:	-9.65(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NN=NN2C

DOS

IR

Vibrations