Geometry & MOs

Info

ID:	187112
PubChem CID:	77530901
Reduced:	ClSO3N5H22C25 (1)
Stoich.:	ABC3D5E22F25 (1)
Weight, g/mol:	489.172228
ΔH_f, kcal/mol:	13.22
Dipole, Da:	7.83
IP(EA), eV:	-8.66(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-1,4-benzoxazin-5-yl N-[[3-[2-(3-methylphenyl)thiophene-3-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CC(=CC=C2)Cl)C(=O)N3CC4CC4C3CNC(=O)OC5=C6C=CC=CN6N=C5

DOS

IR

Vibrations