Geometry & MOs

Info

ID:	321029
PubChem CID:	126664476
Reduced:	SF2N4O4C31H44 (1)
Stoich.:	AB2C4D4E31F44 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-219.08
Dipole, Da:	3.8
IP(EA), eV:	-8.0(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC[C@H]1C[C@H](CCO1)[C@H](C2=CC=C(C=C2)F)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CC[C@H]4CN[C@@H]5CCCS(N4C5)(O)O)N

DOS

IR

Vibrations