Geometry & MOs

Info

ID:	432722
PubChem CID:	135172859
Reduced:	FN5O8C45H74 (1)
Stoich.:	AB5C8D45E74 (1)
Weight, g/mol:	362.126657
ΔH_f, kcal/mol:	-451.58
Dipole, Da:	6.85
IP(EA), eV:	-8.91(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,3-dioxoindol-1-yl)pentan-2-yl]indole-2,3-dione

Drug info:

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CC2(CC2)C[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3F)C(=O)OC(C)(C)C)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations