Geometry & MOs

Info

ID:	244690
PubChem CID:	99376413
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	365.100954
ΔH_f, kcal/mol:	38.17
Dipole, Da:	8.11
IP(EA), eV:	-9.69(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(N=N2)/C=C/C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations