Geometry & MOs

Info

ID:	152433
PubChem CID:	56311360
Reduced:	N3O4C24H35 (1)
Stoich.:	A3B4C24D35 (1)
Weight, g/mol:	414.226705
ΔH_f, kcal/mol:	-173.53
Dipole, Da:	1.91
IP(EA), eV:	-8.61(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-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)N3CCOC4C3CCCC4

DOS

IR

Vibrations