Geometry & MOs

Info

ID:	230870
PubChem CID:	87572178
Reduced:	F3O6N9C50H58 (1)
Stoich.:	A3B6C9D50E58 (1)
Weight, g/mol:	311.246453
ΔH_f, kcal/mol:	-342.51
Dipole, Da:	9.99
IP(EA), eV:	-8.63(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)[C@H]4CC[C@H](N4C5=CC=C(C=C5)C(F)(F)F)C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations