Geometry & MOs

Info

ID:	151275
PubChem CID:	53790975
Reduced:	N3O5H23C27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	526.239162
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	5.38
IP(EA), eV:	-9.33(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(3,5-difluorophenyl)-3-hydroxy-5-(1-hydroxy-4-methylcyclohexyl)-6-oxohexan-2-yl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=C[C@@H]2[C@H](C(=O)N2C(C3=CC=CC=C3)C(=O)O)NC(=O)C(C4=CC=CC=C4)N=O

DOS

IR

Vibrations