Geometry & MOs

Info

ID:	157737
PubChem CID:	56436875
Reduced:	SF2N3O4C20H23 (1)
Stoich.:	AB2C3D4E20F23 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-232.46
Dipole, Da:	8.05
IP(EA), eV:	-8.51(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]pentanamide

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations