Geometry & MOs

Info

ID:	153122
PubChem CID:	56312263
Reduced:	N3O5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	428.20597
ΔH_f, kcal/mol:	-173.96
Dipole, Da:	6.67
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(furan-2-ylmethylcarbamoylamino)-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)NC3=CC=CC(=C3)C(=O)OC

DOS

IR

Vibrations