Geometry & MOs

Info

ID:	213547
PubChem CID:	81064100
Reduced:	SN2O4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	253.131408
ΔH_f, kcal/mol:	-180.87
Dipole, Da:	5.55
IP(EA), eV:	-9.01(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations