Geometry & MOs

Info

ID:	61641
PubChem CID:	26711310
Reduced:	SN3O5C23H27 (1)
Stoich.:	AB3C5D23E27 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-144.12
Dipole, Da:	5.06
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-methyl-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)N2C[C@@H](OC3=CC=CC=C32)C(=O)NC

DOS

IR

Vibrations