Geometry & MOs

Info

ID:	168583
PubChem CID:	74990684
Reduced:	N4O4C23H30 (1)
Stoich.:	A4B4C23D30 (1)
Weight, g/mol:	324.14337
ΔH_f, kcal/mol:	-116.77
Dipole, Da:	7.11
IP(EA), eV:	-9.31(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-4-amino-2-(3-butyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)NO)C(=O)NC(CC1=CN=CC=C1)C(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations