Geometry & MOs

Info

ID:	151751
PubChem CID:	56310470
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	445.203528
ΔH_f, kcal/mol:	-26.9
Dipole, Da:	2.31
IP(EA), eV:	-8.4(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(dimethylsulfamoyl)phenyl]methyl]-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)CC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations