Geometry & MOs

Info

ID:	245334
PubChem CID:	99443470
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	423.090722
ΔH_f, kcal/mol:	-9.26
Dipole, Da:	2.9
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)CC(=O)NC3=CC=CC=C3C(=O)N4CCCC4)C)C

DOS

IR

Vibrations