Geometry & MOs

Info

ID:	160914
PubChem CID:	57390225
Reduced:	O2N5C28H31 (1)
Stoich.:	A2B5C28D31 (1)
Weight, g/mol:	440.140593
ΔH_f, kcal/mol:	22.11
Dipole, Da:	3.95
IP(EA), eV:	-8.57(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CCN[C@H]2CCN(C2)C(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=N5

DOS

IR

Vibrations