Geometry & MOs

Info

ID:	153224
PubChem CID:	56312385
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	-0.36
Dipole, Da:	4.85
IP(EA), eV:	-8.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[2-(pentan-3-ylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=CN4C=CC=CC4=C3C#N

DOS

IR

Vibrations