Geometry & MOs

Info

ID:	243749
PubChem CID:	99234575
Reduced:	FSN3O3C18H28 (1)
Stoich.:	ABC3D3E18F28 (1)
Weight, g/mol:	458.289306
ΔH_f, kcal/mol:	-167.98
Dipole, Da:	6.54
IP(EA), eV:	-8.82(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[(Z)-2-cyano-3-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NCC2(CCCC2)N(C)C

DOS

IR

Vibrations