Geometry & MOs

Info

ID:	177899
PubChem CID:	76250417
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	445.157246
ΔH_f, kcal/mol:	-56.47
Dipole, Da:	4.75
IP(EA), eV:	-8.39(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC=CC1=CC(=C(C=C1)OCC(=O)NCC2=CN=C(C=C2)N(C)C)OC

DOS

IR

Vibrations