Geometry & MOs

Info

ID:	153010
PubChem CID:	56312122
Reduced:	ClN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	427.167811
ΔH_f, kcal/mol:	-66.91
Dipole, Da:	1.35
IP(EA), eV:	-8.38(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)NC3=CC4=C(C=C3Cl)OCCO4

DOS

IR

Vibrations