Geometry & MOs

Info

ID:	152910
PubChem CID:	56312000
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	447.172498
ΔH_f, kcal/mol:	-138.16
Dipole, Da:	7.07
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-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)CCC(=O)NC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations