Geometry & MOs

Info

ID:	309541
PubChem CID:	126547515
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	422.214033
ΔH_f, kcal/mol:	-98.33
Dipole, Da:	2.85
IP(EA), eV:	-9.21(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-amino-4-[(E)-6-amino-4-methylnon-5-en-2-ynimidoyl]cyclohexa-1,5-dien-1-yl]sulfanyl-N-methylbenzamide

Drug info:

PubChemData

Smile

COCCOCCOC(=O)NC1=CC=CC(=C1)C#C

DOS

IR

Vibrations