Geometry & MOs

Info

ID:	152708
PubChem CID:	56311754
Reduced:	N4O5C22H26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-98.34
Dipole, Da:	3.77
IP(EA), eV:	-8.74(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methylsulfanylanilino)-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)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations