Geometry & MOs

Info

ID:	159078
PubChem CID:	57260126
Reduced:	O3S3N4C16H22 (1)
Stoich.:	A3B3C4D16E22 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	9.24
IP(EA), eV:	-8.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]thiophen-2-yl]cyclohexyl] formate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)NC(C)N2CSC=C2)S(=O)(=O)NC(=S)NC

DOS

IR

Vibrations