Geometry & MOs

Info

ID:	200379
PubChem CID:	79380374
Reduced:	OS2N3C15H27 (1)
Stoich.:	AB2C3D15E27 (1)
Weight, g/mol:	294.149204
ΔH_f, kcal/mol:	-36.0
Dipole, Da:	2.72
IP(EA), eV:	-8.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[4-(cyclopropylamino)-4-oxobutyl]amino]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)C1=C(SC(=N1)N2CCS(=O)CC2)CNC(C)(C)C

DOS

IR

Vibrations