Geometry & MOs

Info

ID:	236312
PubChem CID:	92712314
Reduced:	ClSN2O3C20H25 (1)
Stoich.:	ABC2D3E20F25 (1)
Weight, g/mol:	374.166414
ΔH_f, kcal/mol:	-108.1
Dipole, Da:	5.8
IP(EA), eV:	-8.13(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(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=C3OC)OC)Cl

DOS

IR

Vibrations