Geometry & MOs

Info

ID:	245203
PubChem CID:	99437874
Reduced:	N3O3C28H29 (1)
Stoich.:	A3B3C28D29 (1)
Weight, g/mol:	470.198777
ΔH_f, kcal/mol:	-64.78
Dipole, Da:	10.07
IP(EA), eV:	-8.74(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CN4CCC[C@H](C4)C(=O)N

DOS

IR

Vibrations