Geometry & MOs

Info

ID:	64969
PubChem CID:	29204270
Reduced:	SN4O4C17H22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	378.136176
ΔH_f, kcal/mol:	-148.51
Dipole, Da:	5.12
IP(EA), eV:	-9.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-methyl-2-oxo-6-[[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSCC(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations