Geometry & MOs

Info

ID:	140986
PubChem CID:	52795515
Reduced:	FN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	419.167891
ΔH_f, kcal/mol:	-101.82
Dipole, Da:	2.71
IP(EA), eV:	-8.66(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OCC(=O)NCC2=CC(=C(C=C2)N(C)C)F)C

DOS

IR

Vibrations