Geometry & MOs

Info

ID:	152908
PubChem CID:	56311997
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	435.182792
ΔH_f, kcal/mol:	-130.03
Dipole, Da:	1.64
IP(EA), eV:	-8.44(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(dimethylsulfamoyl)furan-2-yl]methyl]-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=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations