Geometry & MOs

Info

ID:	194243
PubChem CID:	78503456
Reduced:	FSO2N5H14C15 (1)
Stoich.:	ABC2D5E14F15 (1)
Weight, g/mol:	392.106688
ΔH_f, kcal/mol:	3.54
Dipole, Da:	3.79
IP(EA), eV:	-9.34(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CO1)SC2=NN=NN2C3=CC(=CC=C3)F

DOS

IR

Vibrations