Geometry & MOs

Info

ID:	237309
PubChem CID:	92718125
Reduced:	N3O4C27H35 (1)
Stoich.:	A3B4C27D35 (1)
Weight, g/mol:	476.00974
ΔH_f, kcal/mol:	-152.64
Dipole, Da:	1.32
IP(EA), eV:	-9.03(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 3,4,5-trichloropyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCN1[C@H]([C@H](CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)N(CC)CC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations