Geometry & MOs

Info

ID:	151896
PubChem CID:	56310720
Reduced:	SO3N4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	358.171499
ΔH_f, kcal/mol:	-45.91
Dipole, Da:	8.62
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pentan-3-yl-4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

DOS

IR

Vibrations