Geometry & MOs

Info

ID:	187334
PubChem CID:	77560567
Reduced:	N2O7C27H34 (1)
Stoich.:	A2B7C27D34 (1)
Weight, g/mol:	632.230471
ΔH_f, kcal/mol:	-296.58
Dipole, Da:	6.05
IP(EA), eV:	-9.0(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-3-[2-[2-(benzenesulfonamido)-3-(4-piperidin-4-yloxyphenyl)propoxy]-4-cyanophenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations