Geometry & MOs

Info

ID:	391082
PubChem CID:	135002691
Reduced:	N3O6C35H35 (1)
Stoich.:	A3B6C35D35 (1)
Weight, g/mol:	356.169585
ΔH_f, kcal/mol:	-94.95
Dipole, Da:	5.85
IP(EA), eV:	-9.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R,5R)-1,3-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-2,6-dioxo-1,3-diazinane-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)C2=CC=CC=C2)C3(C=C1C)C(=C(C(=NC4CCCCC4)N3C(=O)C5=CC=CC=C5)C(=O)OC)C(=O)OC

DOS

IR

Vibrations