Geometry & MOs

Info

ID:	166244
PubChem CID:	74656422
Reduced:	SN3O4C24H37 (1)
Stoich.:	AB3C4D24E37 (1)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	-156.34
Dipole, Da:	4.04
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[(1-morpholin-4-ylcyclohexyl)methylamino]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)NCC2(CCCCC2)N3CCOCC3

DOS

IR

Vibrations