Geometry & MOs

Info

ID:	306861
PubChem CID:	125263963
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-41.4
Dipole, Da:	3.56
IP(EA), eV:	-9.34(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,6aS)-4-(furan-2-ylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CNC(=O)[C@@H]2C[C@H]3[C@H](O2)CCN3CC4=CC=CO4

DOS

IR

Vibrations