Geometry & MOs

Info

ID:	152117
PubChem CID:	56310977
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-185.49
Dipole, Da:	3.22
IP(EA), eV:	-8.46(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pentan-3-yl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations