Geometry & MOs

Info

ID:	236311
PubChem CID:	92712312
Reduced:	OSN2C19H24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	408.127441
ΔH_f, kcal/mol:	-30.35
Dipole, Da:	2.72
IP(EA), eV:	-8.45(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl]urea

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC=C2CCNC(=O)NC3=CC=C(C=C3)C

DOS

IR

Vibrations