Geometry & MOs

Info

ID:	193933
PubChem CID:	78458022
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	405.099457
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	2.55
IP(EA), eV:	-8.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2C(=O)NC(NN2)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations