Geometry & MOs

Info

ID:	391993
PubChem CID:	135011778
Reduced:	N3O4H13C16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	397.155909
ΔH_f, kcal/mol:	48.35
Dipole, Da:	6.83
IP(EA), eV:	-8.93(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations