Geometry & MOs

Info

ID:	49786
PubChem CID:	11533825
Reduced:	SN2F4O4C25H28 (1)
Stoich.:	AB2C4D4E25F28 (1)
Weight, g/mol:	528.254812
ΔH_f, kcal/mol:	-322.01
Dipole, Da:	6.37
IP(EA), eV:	-8.76(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]methyl]-4-(2,2-dimethylpropyl)phenyl]imidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCCN1CC2CCCN2C(=O)C3=CC=C(C=C3)OCC4=C(C=C(C=C4)S(=O)(=O)C(F)(F)F)F

DOS

IR

Vibrations