Geometry & MOs

Info

ID:	215980
PubChem CID:	85085534
Reduced:	NSO2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-14.97
Dipole, Da:	4.72
IP(EA), eV:	-8.68(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-methyl-3-phenylbutanoate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C=CC(=S)N

DOS

IR

Vibrations