Geometry & MOs

Info

ID:	42360
PubChem CID:	8149473
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	348.192331
ΔH_f, kcal/mol:	-157.74
Dipole, Da:	5.8
IP(EA), eV:	-9.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(3-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC[C@@H]1C(=C(NC(=O)N1)CNCC2=CC(=CC=C2)OC)C(=O)OCC

DOS

IR

Vibrations