Geometry & MOs

Info

ID:	262043
PubChem CID:	103267220
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-111.43
Dipole, Da:	6.09
IP(EA), eV:	-9.2(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC1(C(CC1O)NCC2=C(SC=C2)C(=O)O)C

DOS

IR

Vibrations