Geometry & MOs

Info

ID:	417780
PubChem CID:	135102759
Reduced:	ClNSO4C18H26 (1)
Stoich.:	ABCD4E18F26 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-190.53
Dipole, Da:	6.5
IP(EA), eV:	-9.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations