Geometry & MOs

Info

ID:	336898
PubChem CID:	127255905
Reduced:	SN2O3C12H22 (1)
Stoich.:	AB2C3D12E22 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-69.06
Dipole, Da:	24.42
IP(EA), eV:	-8.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+](C)CN(C)C

DOS

IR

Vibrations