Geometry & MOs

Info

ID:	16657
PubChem CID:	474453
Reduced:	N4O4C17H28 (1)
Stoich.:	A4B4C17D28 (1)
Weight, g/mol:	352.211055
ΔH_f, kcal/mol:	-163.8
Dipole, Da:	6.17
IP(EA), eV:	-8.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide

Drug info:

PubChemData

Smile

CC(C)N(C=NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)CO)C(C)C

DOS

IR

Vibrations