Geometry & MOs

Info

ID:	307570
PubChem CID:	125307543
Reduced:	SO2N5C20H27 (1)
Stoich.:	AB2C5D20E27 (1)
Weight, g/mol:	401.188546
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	4.44
IP(EA), eV:	-8.95(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]pentanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1C)NC(=O)CCCC[C@H]3[C@H]4[C@@H](CS3)NC(=O)N4

DOS

IR

Vibrations