Geometry & MOs

Info

ID:	40042
PubChem CID:	8143476
Reduced:	SN4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	279.01547
ΔH_f, kcal/mol:	41.04
Dipole, Da:	3.53
IP(EA), eV:	-8.17(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imino-4-oxo-4-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1CN2C(=S)N(C(=N2)C)C3=CC=CC=C3C

DOS

IR

Vibrations