Geometry & MOs

Info

ID:	70222
PubChem CID:	47211761
Reduced:	ClION2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	303.161663
ΔH_f, kcal/mol:	-23.93
Dipole, Da:	4.63
IP(EA), eV:	-8.91(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[azepan-1-ylsulfonyl(cyclopentyl)amino]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations