Geometry & MOs

Info

ID:	420212
PubChem CID:	135111861
Reduced:	ClN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	666.250555
ΔH_f, kcal/mol:	-111.42
Dipole, Da:	2.07
IP(EA), eV:	-8.97(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-11-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3,6,15-trioxo-1,4,7,11-tetrazacyclopentadecane

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)N(CCO)CC2=CN=CN2C

DOS

IR

Vibrations