Geometry & MOs

Info

ID:	364317
PubChem CID:	127315416
Reduced:	SO4N5C17H29 (1)
Stoich.:	AB4C5D17E29 (1)
Weight, g/mol:	365.104542
ΔH_f, kcal/mol:	-141.16
Dipole, Da:	8.13
IP(EA), eV:	-9.16(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=NN(C=C3)C(C)C

DOS

IR

Vibrations