Geometry & MOs

Info

ID:	182201
PubChem CID:	76857310
Reduced:	N2O2C23H28 (1)
Stoich.:	A2B2C23D28 (1)
Weight, g/mol:	483.230411
ΔH_f, kcal/mol:	-55.32
Dipole, Da:	6.58
IP(EA), eV:	-8.53(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-pentyl-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C=CC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations