Geometry & MOs

Info

ID:	32825
PubChem CID:	7848712
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	400.146821
ΔH_f, kcal/mol:	-163.38
Dipole, Da:	5.87
IP(EA), eV:	-9.5(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

DOS

IR

Vibrations