Geometry & MOs

Info

ID:	126029
PubChem CID:	50949004
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-70.13
Dipole, Da:	4.04
IP(EA), eV:	-9.04(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-1,1-dioxothiolan-3-amine

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)[C@@H]2C[C@@H](C[C@@H](O2)CCC3=CC=CC=C3)NC(=O)C)C

DOS

IR

Vibrations