Geometry & MOs

Info

ID:	126409
PubChem CID:	50964081
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-44.14
Dipole, Da:	4.57
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=CS1)N2CC(C2)OC3=CC=CC(=C3)OC

DOS

IR

Vibrations