Geometry & MOs

Info

ID:	236894
PubChem CID:	92715498
Reduced:	N4O4C27H30 (1)
Stoich.:	A4B4C27D30 (1)
Weight, g/mol:	404.144432
ΔH_f, kcal/mol:	-101.75
Dipole, Da:	5.44
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2R)-3-acetyl-2-(4-ethoxy-3-methoxyphenyl)-2H-1,3,4-oxadiazol-5-yl]methylamino]-2H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN2C[C@](N(C(=O)C2=C1)C3=CC(=CC(=C3)C)C)(C)C(=O)NCC4=CC=C(C=C4)C

DOS

IR

Vibrations