Geometry & MOs

Info

ID:	136384
PubChem CID:	52031440
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	412.182064
ΔH_f, kcal/mol:	-163.67
Dipole, Da:	1.82
IP(EA), eV:	-8.67(-0.28)
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-methylsulfanylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations