Geometry & MOs

Info

ID:	189752
PubChem CID:	77899736
Reduced:	O2N7C18H21 (1)
Stoich.:	A2B7C18D21 (1)
Weight, g/mol:	384.151907
ΔH_f, kcal/mol:	36.73
Dipole, Da:	10.38
IP(EA), eV:	-9.02(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-fluoro-1-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]pyrrolidin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2C3CCC(C2=O)CN(C3)C4=NC=NC5=C4NC=N5

DOS

IR

Vibrations