Geometry & MOs

Info

ID:	152917
PubChem CID:	56312007
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-147.85
Dipole, Da:	5.16
IP(EA), eV:	-8.54(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)N(C(C)C)C(C)C

DOS

IR

Vibrations