Geometry & MOs

Info

ID:	431168
PubChem CID:	135171238
Reduced:	N2S2O7C20H34 (1)
Stoich.:	A2B2C7D20E34 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-329.46
Dipole, Da:	5.48
IP(EA), eV:	-9.24(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(SC1C(=O)NCCCOCCOCCOCCCNC(=O)C2CCC(=O)S2)O

DOS

IR

Vibrations