Geometry & MOs

Info

ID:	195334
PubChem CID:	78674498
Reduced:	SN4O5C18H22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	2.31
IP(EA), eV:	-9.05(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethoxyphenyl)-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(O1)C2COC3=CC=CC=C3O2

DOS

IR

Vibrations