Geometry & MOs

Info

ID:	61072
PubChem CID:	26705265
Reduced:	BrFNO4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	460.166808
ΔH_f, kcal/mol:	-161.08
Dipole, Da:	2.66
IP(EA), eV:	-9.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations