Geometry & MOs

Info

ID:	153123
PubChem CID:	56312265
Reduced:	N4O5C22H28 (1)
Stoich.:	A4B5C22D28 (1)
Weight, g/mol:	443.216869
ΔH_f, kcal/mol:	-166.48
Dipole, Da:	4.69
IP(EA), eV:	-8.57(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC(=O)NCC3=CC=CO3

DOS

IR

Vibrations