Geometry & MOs

Info

ID:	62172
PubChem CID:	26717866
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	457.130757
ΔH_f, kcal/mol:	-50.27
Dipole, Da:	5.4
IP(EA), eV:	-8.64(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[5-(phenoxymethyl)furan-2-carbonyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C3=CC=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations