Geometry & MOs

Info

ID:	414704
PubChem CID:	135087663
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	367.145344
ΔH_f, kcal/mol:	-36.78
Dipole, Da:	1.71
IP(EA), eV:	-9.14(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)N(CCO)CC1=CN=C(N1)C)N2C=CC=N2

DOS

IR

Vibrations