Geometry & MOs

Info

ID:	383461
PubChem CID:	134975199
Reduced:	SSiN2O4C26H32 (1)
Stoich.:	ABC2D4E26F32 (1)
Weight, g/mol:	349.06774
ΔH_f, kcal/mol:	-135.46
Dipole, Da:	2.36
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-3-(bromomethyl)-4-phenyl-4a,5,6,7,8,8a-hexahydro-1,2-benzoxazin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C[C@H](C4=CN=NC=C34)COS(=O)(=O)C

DOS

IR

Vibrations