Geometry & MOs

Info

ID:	153119
PubChem CID:	56312259
Reduced:	ClO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-29.84
Dipole, Da:	1.76
IP(EA), eV:	-8.73(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-acetamidoanilino)-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)CC3=NC(=NO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations