Geometry & MOs

Info

ID:	300273
PubChem CID:	121270105
Reduced:	ClO2N6H23C27 (1)
Stoich.:	AB2C6D23E27 (1)
Weight, g/mol:	446.1952
ΔH_f, kcal/mol:	70.48
Dipole, Da:	9.36
IP(EA), eV:	-8.7(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-[2-[[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]-deuteriomethyl]phenoxy]hex-3-enoic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)Cl)C(=O)N1C3=CN=CC(=C3)N4CC5(C4)CN(C5)C(=O)C6=C(C=CC=N6)C#N)C

DOS

IR

Vibrations