Geometry & MOs

Info

ID:	228643
PubChem CID:	87565467
Reduced:	ClS3N5O5H16C18 (1)
Stoich.:	AB3C5D5E16F18 (1)
Weight, g/mol:	553.128369
ΔH_f, kcal/mol:	-63.66
Dipole, Da:	7.46
IP(EA), eV:	-8.73(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-[5-[4-methoxy-2-(trifluoromethyl)phenoxy]pyridin-2-yl]ethylcarbamoyl]cyclopropyl]carbamic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(S1)SC2=C(N3C(CC2)C(C3=O)NC(=O)/C(=N\O)/C4=C(SC(=N4)N)Cl)C(=O)O

DOS

IR

Vibrations