Geometry & MOs

Info

ID:	213165
PubChem CID:	81063107
Reduced:	FNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	271.099063
ΔH_f, kcal/mol:	-174.57
Dipole, Da:	3.36
IP(EA), eV:	-8.99(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCSC1=CC=CC=C1F

DOS

IR

Vibrations