Geometry & MOs

Info

ID:	141021
PubChem CID:	52803126
Reduced:	BrSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	466.130692
ΔH_f, kcal/mol:	-110.41
Dipole, Da:	4.8
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (2R,3R)-2-[(5-chloro-2-fluorobenzoyl)amino]-3-hydroxybutanoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)[C@@H]2C[C@H]2C3=CC(=CC=C3)Br

DOS

IR

Vibrations