Geometry & MOs

Info

ID:	185217
PubChem CID:	77271277
Reduced:	NO6C31H45 (1)
Stoich.:	AB6C31D45 (1)
Weight, g/mol:	404.097683
ΔH_f, kcal/mol:	-287.91
Dipole, Da:	3.38
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-1,1-dioxothian-3-yl)-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)C(COC(=O)O)N6CCCC6

DOS

IR

Vibrations