Geometry & MOs

Info

ID:	261654
PubChem CID:	103243877
Reduced:	NSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	-130.85
Dipole, Da:	8.21
IP(EA), eV:	-8.87(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-4-(3-methylpentan-2-ylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

COCCOCCNCC1=C(SC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations