Geometry & MOs

Info

ID:	313363
PubChem CID:	126614103
Reduced:	O3C4H6 (1)
Stoich.:	A3B4C6 (1)
Weight, g/mol:	481.062878
ΔH_f, kcal/mol:	-68.99
Dipole, Da:	1.92
IP(EA), eV:	-9.98(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[7-(5-methylthiophen-2-yl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-17-yl]thiophen-2-amine

Drug info:

PubChemData

Smile

C#COCC(O)O

DOS

IR

Vibrations