Geometry & MOs

Info

ID:	150995
PubChem CID:	53790692
Reduced:	OSN4C12H13 (2)
Stoich.:	ABC4D12E13 (2)
Weight, g/mol:	707.333729
ΔH_f, kcal/mol:	29.35
Dipole, Da:	8.55
IP(EA), eV:	-8.98(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloro-4,4-dimethyl-2-(4-nitrophenoxy)-3-oxo-N-phenylpentanamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSSCCNC3=NC=C(C(=O)N3)CC4=CN=CC=C4

DOS

IR

Vibrations