Geometry & MOs

Info

ID:	80430
PubChem CID:	49834419
Reduced:	ClN2O3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	444.118001
ΔH_f, kcal/mol:	-93.05
Dipole, Da:	6.88
IP(EA), eV:	-8.3(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]triazol-4-yl]-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)NC(=C2OCCCN3CCCCC3)C4=CC(=C(C=C4)Cl)OC

DOS

IR

Vibrations