Geometry & MOs

Info

ID:	152436
PubChem CID:	56311363
Reduced:	ClO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-70.49
Dipole, Da:	4.29
IP(EA), eV:	-8.5(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-(phenylcarbamoylamino)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)CC3=CC(=O)N4C=C(C=CC4=N3)Cl

DOS

IR

Vibrations