Geometry & MOs

Info

ID:	61050
PubChem CID:	26704743
Reduced:	ClS2N4O4C21H25 (1)
Stoich.:	AB2C4D4E21F25 (1)
Weight, g/mol:	464.117271
ΔH_f, kcal/mol:	-101.28
Dipole, Da:	4.58
IP(EA), eV:	-9.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N=C2N(CCS2)C(=O)C3CCN(CC3)S(=O)(=O)C4=C(ON=C4C)C

DOS

IR

Vibrations