Geometry & MOs

Info

ID:	164887
PubChem CID:	74467060
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	418.187915
ΔH_f, kcal/mol:	-60.39
Dipole, Da:	5.21
IP(EA), eV:	-9.39(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-buta-1,3-dienoxy-N-(7-butyl-5-cyano-11-methyl-2-oxo-7,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,8,10,12-hexaen-6-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2C(CC1NC(=O)CCCC3=NC4=CC=CC=C4S3)NC(=O)N2

DOS

IR

Vibrations