Geometry & MOs

Info

ID:	42375
PubChem CID:	8149488
Reduced:	N4O5C21H28 (1)
Stoich.:	A4B5C21D28 (1)
Weight, g/mol:	417.213795
ΔH_f, kcal/mol:	-198.02
Dipole, Da:	7.53
IP(EA), eV:	-9.11(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 4-[(S)-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-morpholin-4-ium-4-ylmethyl]benzoate

Drug info:

PubChemData

Smile

CC(C)CN1C(=C(C(=O)NC1=O)[C@@H](C2=CC=C(C=C2)C(=O)OC)N3CCOCC3)N

DOS

IR

Vibrations