Geometry & MOs

Info

ID:	177859
PubChem CID:	76245757
Reduced:	N5O6C23H29 (1)
Stoich.:	A5B6C23D29 (1)
Weight, g/mol:	368.165997
ΔH_f, kcal/mol:	-201.54
Dipole, Da:	6.27
IP(EA), eV:	-8.76(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-[(3,4-difluorophenyl)methyl-methylamino]propanoyl]-1,3-dimethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations