Geometry & MOs

Info

ID:	152010
PubChem CID:	56310854
Reduced:	N3O5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-176.64
Dipole, Da:	6.48
IP(EA), eV:	-8.77(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations