Geometry & MOs

Info

ID:	36284
PubChem CID:	8000711
Reduced:	F3N7H13C17 (1)
Stoich.:	A3B7C13D17 (1)
Weight, g/mol:	363.080826
ΔH_f, kcal/mol:	52.45
Dipole, Da:	3.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.803891
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(2-chlorophenoxy)acetyl]amino]-3-(3,5-dimethylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)CCC4=NN=N[N-]4

DOS

IR

Vibrations