Geometry & MOs

Info

ID:	233895
PubChem CID:	92192282
Reduced:	ClON2S2C17H21 (1)
Stoich.:	ABC2D2E17F21 (1)
Weight, g/mol:	368.078383
ΔH_f, kcal/mol:	-3.09
Dipole, Da:	7.56
IP(EA), eV:	-8.3(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-[(1R)-1-thiophen-2-ylethyl]thiourea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCOC)[C@@H](C)C2=CC=CS2

DOS

IR

Vibrations