Geometry & MOs

Info

ID:	153121
PubChem CID:	56312262
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	439.210721
ΔH_f, kcal/mol:	-136.83
Dipole, Da:	5.2
IP(EA), eV:	-8.37(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[2-(pentan-3-ylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC=C3OCC

DOS

IR

Vibrations