Geometry & MOs

Info

ID:	160268
PubChem CID:	57309614
Reduced:	Cl2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	516.138879
ΔH_f, kcal/mol:	3.89
Dipole, Da:	4.76
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-4-[2-(3-methoxyphenyl)ethyl]-6-(4-methoxyphenyl)sulfonyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-5-carboxamide

Drug info:

PubChemData

Smile

CC1CNCCN1C2=NC(=C(C(=N2)Cl)Cl)NC(C)C

DOS

IR

Vibrations