Geometry & MOs

Info

ID:	148804
PubChem CID:	53788473
Reduced:	S2N4O5C21H24 (1)
Stoich.:	A2B4C5D21E24 (1)
Weight, g/mol:	409.257671
ΔH_f, kcal/mol:	-150.93
Dipole, Da:	5.81
IP(EA), eV:	-8.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2-hydroxytridecanoyl)oxolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)N3C=C4C=CSC4=C3O

DOS

IR

Vibrations