Geometry & MOs

Info

ID:	213269
PubChem CID:	81063291
Reduced:	NSF2O3C14H17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-217.88
Dipole, Da:	3.7
IP(EA), eV:	-9.14(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCSC1=CC(=C(C=C1)F)F

DOS

IR

Vibrations