Geometry & MOs

Info

ID:	213258
PubChem CID:	81063275
Reduced:	SN3O4C12H17 (1)
Stoich.:	AB3C4D12E17 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-170.82
Dipole, Da:	6.05
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[(Z)-2-methylpent-2-enoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)N1)SC)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations