Geometry & MOs

Info

ID:	158173
PubChem CID:	56463097
Reduced:	SN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	399.09577
ΔH_f, kcal/mol:	-30.14
Dipole, Da:	6.38
IP(EA), eV:	-8.39(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-[2-[cyclopropyl(methyl)amino]propylamino]-3-oxopropyl]-5-fluorobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(SC(=C1)C2=CC=CC=C2)C(=O)NCC(C)N(C)C3CC3

DOS

IR

Vibrations