Geometry & MOs

Info

ID:	328903
PubChem CID:	126729042
Reduced:	O4C11H20 (1)
Stoich.:	A4B11C20 (1)
Weight, g/mol:	556.23447
ΔH_f, kcal/mol:	-219.97
Dipole, Da:	1.75
IP(EA), eV:	-10.0(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-(ethylamino)propanoyl]amino]-3-(3,4-difluorophenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC[C@H]1C[C@@H](CO1)O

DOS

IR

Vibrations