Geometry & MOs

Info

ID:	178083
PubChem CID:	76274580
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	442.205005
ΔH_f, kcal/mol:	-165.9
Dipole, Da:	4.27
IP(EA), eV:	-9.31(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC)NC(=O)C1CCCN(C1)C(=O)C2=CC=CS2

DOS

IR

Vibrations