Geometry & MOs

Info

ID:	170130
PubChem CID:	75201063
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	8.11
IP(EA), eV:	-9.55(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylamino]-3-oxoprop-1-enyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)S(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations