Geometry & MOs

Info

ID:	152800
PubChem CID:	56311871
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	3.7
IP(EA), eV:	-8.85(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-anilino-3-oxopropyl)-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)CC3=CSC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations