Geometry & MOs

Info

ID:	79250
PubChem CID:	49747645
Reduced:	N4O5C27H32 (1)
Stoich.:	A4B5C27D32 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-170.59
Dipole, Da:	6.22
IP(EA), eV:	-8.29(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)oxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CNC(=O)C(=O)NC2=CC3=C4C(=C2)CCC(=O)N4CCC3)N5CCOCC5

DOS

IR

Vibrations