Geometry & MOs

Info

ID:	245159
PubChem CID:	99437712
Reduced:	O3N5C27H35 (1)
Stoich.:	A3B5C27D35 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-114.82
Dipole, Da:	6.15
IP(EA), eV:	-8.71(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)CN4CCC[C@H](C4)C(=O)N

DOS

IR

Vibrations