Geometry & MOs

Info

ID:	152918
PubChem CID:	56312008
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-75.63
Dipole, Da:	2.43
IP(EA), eV:	-8.77(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methyl-3-nitroanilino)-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=CC(=O)N4C(=CSC4=N3)C

DOS

IR

Vibrations