Geometry & MOs

Info

ID:	136385
PubChem CID:	52031441
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-100.26
Dipole, Da:	4.78
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-(dimethylamino)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NCC3=CC=C(C=C3)SC

DOS

IR

Vibrations