Geometry & MOs

Info

ID:	62214
PubChem CID:	26718268
Reduced:	O2N6H18C21 (1)
Stoich.:	A2B6C18D21 (1)
Weight, g/mol:	349.10604
ΔH_f, kcal/mol:	82.97
Dipole, Da:	2.77
IP(EA), eV:	-8.99(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(difluoromethylsulfanyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations