Geometry & MOs

Info

ID:	80498
PubChem CID:	49834777
Reduced:	F2O3N6H20C21 (1)
Stoich.:	A2B3C6D20E21 (1)
Weight, g/mol:	429.12486
ΔH_f, kcal/mol:	-69.91
Dipole, Da:	7.13
IP(EA), eV:	-8.51(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)CN2N=CC(=N2)NC(=O)C3=C(OC=N3)C4=CC(=CC=C4)N(C)C)(F)F

DOS

IR

Vibrations