Geometry & MOs

Info

ID:	152225
PubChem CID:	56311108
Reduced:	SN3O5C22H29 (1)
Stoich.:	AB3C5D22E29 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-166.5
Dipole, Da:	7.35
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-ethyl-6-methylanilino)-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)CCOC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations