Geometry & MOs

Info

ID:	185327
PubChem CID:	77286789
Reduced:	S2N3O3C17H25 (1)
Stoich.:	A2B3C3D17E25 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-90.36
Dipole, Da:	3.53
IP(EA), eV:	-9.06(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3a-(1H-indol-3-yl)-1,2,3,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1CCC(=O)N1CCSC2=NC(=CS2)C(=O)O)CC(=C)C

DOS

IR

Vibrations