Geometry & MOs

Info

ID:	300310
PubChem CID:	121270306
Reduced:	ClO2N6C25H25 (1)
Stoich.:	AB2C6D25E25 (1)
Weight, g/mol:	455.173548
ΔH_f, kcal/mol:	39.97
Dipole, Da:	5.44
IP(EA), eV:	-8.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]-dideuteriomethyl]thiophen-3-yl]oxyhexanoic 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=CC=NN6C)C

DOS

IR

Vibrations