Geometry & MOs

Info

ID:	436269
PubChem CID:	135196494
Reduced:	NSO3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	299.184506
ΔH_f, kcal/mol:	-180.7
Dipole, Da:	4.28
IP(EA), eV:	-9.01(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[[(2R)-3-hydroxy-5,5-dimethyl-1,2-dihydropyrrol-2-yl]methylamino]-4-oxo-3-(propan-2-ylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)NC(CCSCC(C)(C)C)C(=O)O

DOS

IR

Vibrations