Geometry & MOs

Info

ID:	148278
PubChem CID:	53787940
Reduced:	O3N4C27H32 (1)
Stoich.:	A3B4C27D32 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-60.99
Dipole, Da:	4.25
IP(EA), eV:	-9.11(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(3aS,4R,6aR)-3-benzyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@](C(=O)C1=CC2=CC=CC=C2C=N1)(C(=O)NC3CN(CC3O)CC4=CC=CC=C4)N

DOS

IR

Vibrations