Geometry & MOs

Info

ID:	187887
PubChem CID:	77638302
Reduced:	ClFSN3O4C24H41 (1)
Stoich.:	ABCD3E4F24G41 (1)
Weight, g/mol:	561.200604
ΔH_f, kcal/mol:	-265.72
Dipole, Da:	4.28
IP(EA), eV:	-9.19(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-N-(3-chloro-4-fluorophenyl)-N'-[(3-ethylphenyl)methyl]butanediamide

Drug info:

PubChemData

Smile

CCCN(CCC)S(=O)(=O)CCC(=O)N(CCC(C)C)CC(C(CC1=CC(=CC(=C1)Cl)F)N)O

DOS

IR

Vibrations