Geometry & MOs

Info

ID:	191307
PubChem CID:	78129115
Reduced:	ClSF3N3O7H33C35 (1)
Stoich.:	ABC3D3E7F33G35 (1)
Weight, g/mol:	364.074989
ΔH_f, kcal/mol:	-363.17
Dipole, Da:	8.87
IP(EA), eV:	-9.33(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-chloro-5-nitropyrimidin-4-yl)-(3,3-difluorocyclobutyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O.CC(=O)NCCOC(=O)C(C1=CC=C(C=C1)Cl)OC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations