Geometry & MOs

Info

ID:	68238
PubChem CID:	46508029
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	453.135842
ΔH_f, kcal/mol:	-131.17
Dipole, Da:	4.03
IP(EA), eV:	-8.7(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CC(C3=CC=CC=C3)NC(=O)N

DOS

IR

Vibrations