Geometry & MOs

Info

ID:	437063
PubChem CID:	135214428
Reduced:	OSN3C24H29 (1)
Stoich.:	ABC3D24E29 (1)
Weight, g/mol:	381.244999
ΔH_f, kcal/mol:	-7.08
Dipole, Da:	2.88
IP(EA), eV:	-8.65(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-3-(4-hydroxy-2,6-dimethylcyclohexyl)-2-(methylamino)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea

Drug info:

PubChemData

Smile

CC(C)(CC1=CC2=CC=CC=C2S1)NC(=O)NC[C@@H]3CC4=CC=CC=C4CN3C

DOS

IR

Vibrations