Geometry & MOs

Info

ID:	161355
PubChem CID:	57391429
Reduced:	ClS2N4O5C24H25 (1)
Stoich.:	AB2C4D5E24F25 (1)
Weight, g/mol:	370.242042
ΔH_f, kcal/mol:	-124.86
Dipole, Da:	5.5
IP(EA), eV:	-9.36(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC(COC)N1CCC2=C(C1)SC(=N2)C(=O)NC3=C(C=CC(=C3)C(=O)O)CNC(=O)C4=CC=C(S4)Cl

DOS

IR

Vibrations