Geometry & MOs

Info

ID:	195372
PubChem CID:	78678579
Reduced:	S2N3O3H17C20 (1)
Stoich.:	A2B3C3D17E20 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-24.75
Dipole, Da:	7.67
IP(EA), eV:	-8.44(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[2-[2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations