Geometry & MOs

Info

ID:	152537
PubChem CID:	56311491
Reduced:	SO3N4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	416.161518
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	1.58
IP(EA), eV:	-8.35(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2-chloropyridin-3-yl)amino]-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)CCCC3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations