Geometry & MOs

Info

ID:	397603
PubChem CID:	135030454
Reduced:	S2N4O4C25H34 (1)
Stoich.:	A2B4C4D25E34 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-133.3
Dipole, Da:	7.71
IP(EA), eV:	-9.26(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl (3aR,8bS)-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3,4-dicarboxylate

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)S(=O)(=O)NC5CCCC[C@H]5N

DOS

IR

Vibrations