Geometry & MOs

Info

ID:	320155
PubChem CID:	126658492
Reduced:	O12C17H28 (1)
Stoich.:	A12B17C28 (1)
Weight, g/mol:	562.290368
ΔH_f, kcal/mol:	-530.97
Dipole, Da:	7.29
IP(EA), eV:	-10.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-(diaminomethylideneamino)-2-[[2-[1-(3,3-diphenylpropanoylamino)-3-methylbutyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)OC1C(C(C(C(O1)C(=O)O)O)O[C@H]2C(=O)[C@H](C(C(O2)CO)O)O)O

DOS

IR

Vibrations