Geometry & MOs

Info

ID:	152011
PubChem CID:	56310855
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	430.22162
ΔH_f, kcal/mol:	-95.87
Dipole, Da:	3.5
IP(EA), eV:	-8.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-6-[[2-(pentan-3-ylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NCCC3=CC=CS3

DOS

IR

Vibrations