Geometry & MOs

Info

ID:	220421
PubChem CID:	85189541
Reduced:	ON5H20C22 (1)
Stoich.:	AB5C20D22 (1)
Weight, g/mol:	369.124609
ΔH_f, kcal/mol:	104.02
Dipole, Da:	4.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.025027
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[5-(benzenesulfonamido)-2,2-dimethyl-1,3-dioxan-4-yl]but-2-enoate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC3=NC4=CC=CC=C4C(=O)C32)N=C1[N+]5=CC=C(C=C5)N(C)C

DOS

IR

Vibrations