Geometry & MOs

Info

ID:	152542
PubChem CID:	56311497
Reduced:	N3O5C23H33 (1)
Stoich.:	A3B5C23D33 (1)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	-212.83
Dipole, Da:	4.11
IP(EA), eV:	-8.57(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2-cyano-3-methylbutan-2-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)CC(=O)N3CCC(CC3)C(=O)OC

DOS

IR

Vibrations