Geometry & MOs

Info

ID:	233913
PubChem CID:	92192426
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	-0.78
Dipole, Da:	4.48
IP(EA), eV:	-8.34(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=S)N(CCOC)[C@@H](C)C2=CN=CC=C2)C

DOS

IR

Vibrations