Geometry & MOs

Info

ID:	177577
PubChem CID:	76201286
Reduced:	ON3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	471.138341
ΔH_f, kcal/mol:	8.97
Dipole, Da:	3.25
IP(EA), eV:	-8.33(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-5-(morpholine-4-carbonyl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)C2CC(NN2)C3=CC(=CC=C3)N

DOS

IR

Vibrations