Geometry & MOs

Info

ID:	155251
PubChem CID:	56323838
Reduced:	BrO4N5H18C20 (1)
Stoich.:	AB4C5D18E20 (1)
Weight, g/mol:	443.151492
ΔH_f, kcal/mol:	-51.12
Dipole, Da:	2.5
IP(EA), eV:	-9.34(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[cyano-(3,4,5-trimethoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations