Geometry & MOs

Info

ID:	233892
PubChem CID:	92192262
Reduced:	SN4C20H28 (1)
Stoich.:	AB4C20D28 (1)
Weight, g/mol:	376.148846
ΔH_f, kcal/mol:	43.48
Dipole, Da:	5.09
IP(EA), eV:	-8.03(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-methylphenyl)-1-[2-(dimethylamino)ethyl]-1-[(1R)-1-pyridin-2-ylethyl]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=S)N(CCN(C)C)[C@H](C)C2=CC=CC=N2)C

DOS

IR

Vibrations