Geometry & MOs

Info

ID:	330470
PubChem CID:	127247877
Reduced:	S2N3O4C13H19 (1)
Stoich.:	A2B3C4D13E19 (1)
Weight, g/mol:	347.111519
ΔH_f, kcal/mol:	-152.29
Dipole, Da:	3.54
IP(EA), eV:	-9.12(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-difluorophenyl)methyl]-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(=O)N2CCN(CC(C2)C(=O)N)S(=O)(=O)C

DOS

IR

Vibrations