Geometry & MOs

Info

ID:	245160
PubChem CID:	99437713
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-108.37
Dipole, Da:	4.57
IP(EA), eV:	-8.7(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)CC2=CC=C(C=C2)NC(=O)CNC(=O)/C=C/C3=CC=CO3)C(=O)N

DOS

IR

Vibrations