Geometry & MOs

Info

ID:	306353
PubChem CID:	125003890
Reduced:	SO2N5C15H21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	283.149619
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	3.92
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-1-[(2,5-difluorophenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)C2=CN=CC(=N2)[C@@H]3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations