Geometry & MOs

Info

ID:	243514
PubChem CID:	99225702
Reduced:	Cl2N2O2C17H22 (1)
Stoich.:	A2B2C2D17E22 (1)
Weight, g/mol:	421.203528
ΔH_f, kcal/mol:	-112.03
Dipole, Da:	4.37
IP(EA), eV:	-9.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCC1)NC(=O)CCC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations