Geometry & MOs

Info

ID:	184735
PubChem CID:	77200430
Reduced:	FSO3N5C23H28 (1)
Stoich.:	ABC3D5E23F28 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	5.81
IP(EA), eV:	-8.69(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[7-cyano-4-[(3-hydroxypyrrolidin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CC2(CCN1CC3=CC4=C(C=C3)NC(=O)N4C)CN(S(=O)(=O)N2C5=CC(=CC=C5)F)C

DOS

IR

Vibrations