Geometry & MOs

Info

ID:	152224
PubChem CID:	56311107
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	447.182792
ΔH_f, kcal/mol:	-89.46
Dipole, Da:	5.19
IP(EA), eV:	-8.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pentan-3-yl-4-[2-(4-sulfamoylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations