Geometry & MOs

Info

ID:	305413
PubChem CID:	124807170
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	345.081698
ΔH_f, kcal/mol:	-6.1
Dipole, Da:	9.63
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aR,8aR)-4-methylsulfonyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN2C[C@@H]3[C@H](C2)OC[C@@H]3COC4=CC=CC(=C4)C#N

DOS

IR

Vibrations