Geometry & MOs

Info

ID:	233891
PubChem CID:	92192254
Reduced:	ClFN2S2C18H22 (1)
Stoich.:	ABC2D2E18F22 (1)
Weight, g/mol:	356.203468
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	6.76
IP(EA), eV:	-8.47(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethyl]-3-(3,5-dimethylphenyl)-1-[(1R)-1-pyridin-2-ylethyl]thiourea

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CS1)N(CCC(C)C)C(=S)NC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations