Geometry & MOs

Info

ID:	31961
PubChem CID:	3725635
Reduced:	SF2N4O4C24H30 (1)
Stoich.:	AB2C4D4E24F30 (1)
Weight, g/mol:	428.170454
ΔH_f, kcal/mol:	-187.02
Dipole, Da:	5.04
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCCN(CC2)CC(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations