Geometry & MOs

Info

ID:	236306
PubChem CID:	92712303
Reduced:	OSN2C20H26 (1)
Stoich.:	ABC2D20E26 (1)
Weight, g/mol:	342.176585
ΔH_f, kcal/mol:	-38.96
Dipole, Da:	2.95
IP(EA), eV:	-8.64(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-3-[2-[(6S)-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=CC(=C3C)C

DOS

IR

Vibrations