Geometry & MOs

Info

ID:	61643
PubChem CID:	26711339
Reduced:	SN3O5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-103.14
Dipole, Da:	1.87
IP(EA), eV:	-8.79(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-4-(4-phenylsulfanylbutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3

DOS

IR

Vibrations