Geometry & MOs

Info

ID:	315007
PubChem CID:	126624165
Reduced:	SN3O3C29H41 (1)
Stoich.:	AB3C3D29E41 (1)
Weight, g/mol:	444.10823
ΔH_f, kcal/mol:	-124.67
Dipole, Da:	5.09
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-5-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CN2CCCC3=C(C2=O)C(=C(S3)[C@H](C)C4CCC(CC4)N5CC(C5)OC)C)C

DOS

IR

Vibrations