Geometry & MOs

Info

ID:	43617
PubChem CID:	10321550
Reduced:	ClSF3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	450.166998
ΔH_f, kcal/mol:	-323.97
Dipole, Da:	6.43
IP(EA), eV:	-9.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[2-[bis(2-amino-2-oxoethyl)amino]ethoxymethyl]-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)S(=O)(=O)CC(C(F)(F)F)(O)O

DOS

IR

Vibrations