Geometry & MOs

Info

ID:	147504
PubChem CID:	53787160
Reduced:	NS2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	377.32938
ΔH_f, kcal/mol:	-125.44
Dipole, Da:	6.04
IP(EA), eV:	-8.15(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-dodecyl-1,2,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydrophenoxazin-3-one

Drug info:

PubChemData

Smile

CC(CO)(COS(=O)(=O)C)NCC1=C2C=CC=CC2=C(C3=CC=CC=C31)SC

DOS

IR

Vibrations