Geometry & MOs

Info

ID:	245541
PubChem CID:	99453780
Reduced:	O3N4H26C27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	422.084491
ΔH_f, kcal/mol:	-54.66
Dipole, Da:	1.78
IP(EA), eV:	-8.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@]2(C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3N4CCC5=CC=CC=C54)C

DOS

IR

Vibrations