Geometry & MOs

Info

ID:	189062
PubChem CID:	77812067
Reduced:	FIN2O3C16H24 (1)
Stoich.:	ABC2D3E16F24 (1)
Weight, g/mol:	532.235556
ΔH_f, kcal/mol:	-182.9
Dipole, Da:	5.58
IP(EA), eV:	-8.73(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(1,2-diaminohexylsulfonyl)phenyl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]morpholine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCO)CNC1=CC(=CC(=C1)CF)I

DOS

IR

Vibrations