Geometry & MOs

Info

ID:	339533
PubChem CID:	127261523
Reduced:	NSO2F3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	365.158685
ΔH_f, kcal/mol:	-176.16
Dipole, Da:	7.78
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C=C2)C(F)(F)F)CSC3=CC=C(C=C3)NCC(=O)O

DOS

IR

Vibrations