Geometry & MOs

Info

ID:	302383
PubChem CID:	124361541
Reduced:	NO6C28H31 (1)
Stoich.:	AB6C28D31 (1)
Weight, g/mol:	453.193357
ΔH_f, kcal/mol:	-209.76
Dipole, Da:	9.53
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)N4CC[C@@]5(CCCC[C@H]5C4)O

DOS

IR

Vibrations