Geometry & MOs

Info

ID:	381125
PubChem CID:	134971773
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-179.5
Dipole, Da:	4.99
IP(EA), eV:	-9.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(2-aminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations