Geometry & MOs

Info

ID:	178242
PubChem CID:	76303054
Reduced:	O3N5C26H35 (1)
Stoich.:	A3B5C26D35 (1)
Weight, g/mol:	454.177372
ΔH_f, kcal/mol:	-33.46
Dipole, Da:	6.99
IP(EA), eV:	-8.62(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[3-(cyclohexylamino)-3-oxopropyl]sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CON=C(C3=CC=CC(=C3)CN4CCCCC4)N

DOS

IR

Vibrations