Geometry & MOs

Info

ID:	152437
PubChem CID:	56311364
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	447.196963
ΔH_f, kcal/mol:	-136.75
Dipole, Da:	4.97
IP(EA), eV:	-8.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(difluoromethoxy)anilino]-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)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations