Geometry & MOs

Info

ID:	419543
PubChem CID:	135108399
Reduced:	O2N3C18H31 (1)
Stoich.:	A2B3C18D31 (1)
Weight, g/mol:	375.0952
ΔH_f, kcal/mol:	-99.23
Dipole, Da:	6.49
IP(EA), eV:	-9.4(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(cyclopropylmethyl)-1-(2,5-difluorophenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C(=O)N(CCO)CC2=CN=CN2C

DOS

IR

Vibrations