Geometry & MOs

Info

ID:	142704
PubChem CID:	53079043
Reduced:	FSN4O4C20H27 (1)
Stoich.:	ABC4D4E20F27 (1)
Weight, g/mol:	452.128504
ΔH_f, kcal/mol:	-174.2
Dipole, Da:	5.79
IP(EA), eV:	-9.14(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl-methylamino]-N-(3-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)F

DOS

IR

Vibrations