Geometry & MOs

Info

ID:	320143
PubChem CID:	126658473
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	458.227768
ΔH_f, kcal/mol:	-83.36
Dipole, Da:	1.06
IP(EA), eV:	-8.08(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=CC(=C(C=C1)OC)OC)C(C)C

DOS

IR

Vibrations