Geometry & MOs

Info

ID:	306768
PubChem CID:	125240953
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-84.96
Dipole, Da:	3.35
IP(EA), eV:	-9.14(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,6aS)-N-(2-methoxyethyl)-4-(thiophen-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)[C@@H]1C[C@H]2[C@H](O1)CCN2CC3=CC=CS3

DOS

IR

Vibrations