Geometry & MOs

Info

ID:	415512
PubChem CID:	135088508
Reduced:	SO6N10C37H48 (1)
Stoich.:	AB6C10D37E48 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-42.37
Dipole, Da:	4.04
IP(EA), eV:	-8.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(4-aminopyrimidin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N2CCN(C(=O)[C@@H](NC(=O)CN(C(=O)[C@H](NC(=O)C3=CSC(=N3)[C@@H](NC(=O)C2)CC(C)C)CC4=CNC5=CC=CC=C54)C)C)C

DOS

IR

Vibrations