Geometry & MOs

Info

ID:	233943
PubChem CID:	92252633
Reduced:	SO2N3C22H31 (1)
Stoich.:	AB2C3D22E31 (1)
Weight, g/mol:	401.213698
ΔH_f, kcal/mol:	-77.53
Dipole, Da:	2.76
IP(EA), eV:	-8.33(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H]2CCCN(C2)C(=O)C3=CC4=C(N3C)C=CS4

DOS

IR

Vibrations