Geometry & MOs

Info

ID:	422581
PubChem CID:	135118076
Reduced:	ClO4N7C25H28 (1)
Stoich.:	AB4C7D25E28 (1)
Weight, g/mol:	375.0952
ΔH_f, kcal/mol:	-48.24
Dipole, Da:	7.3
IP(EA), eV:	-8.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(cyclopropylmethyl)-1-(3,4-difluorophenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN2C=C(CN3C=CC=C(C3=O)C(=O)N4CCN(CCNC(=O)C5=CC(=C(C=C5)OC1)Cl)CC4)N=N2

DOS

IR

Vibrations