Geometry & MOs

Info

ID:	16659
PubChem CID:	474457
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	346.164105
ΔH_f, kcal/mol:	-86.64
Dipole, Da:	6.59
IP(EA), eV:	-9.49(-1.42)
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-hexa-2,4-dienylidenemethanimidamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations