Geometry & MOs

Info

ID:	181650
PubChem CID:	76769923
Reduced:	N2O6C39H50 (1)
Stoich.:	A2B6C39D50 (1)
Weight, g/mol:	480.16237
ΔH_f, kcal/mol:	-216.89
Dipole, Da:	10.57
IP(EA), eV:	-8.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-N-cyclohexyl-4-(3-methoxypropyl)-2-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)NC(=O)OC2=C3C4=C(CC5C67C4(CCN5CC8CC8)C(O3)C(CC6)(C(C7)C(C)(C(C)(C)C)O)C)C=C2)OC

DOS

IR

Vibrations