Geometry & MOs

Info

ID:	179358
PubChem CID:	76469645
Reduced:	NO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	-33.58
Dipole, Da:	4.12
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxyprop-1-enyl)-4-methyl-N-phenylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(C[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)O

DOS

IR

Vibrations