Geometry & MOs

Info

ID:

433287

PubChem CID:

135173424

Reduced:

SN4O4H30C33 (1)

Stoich.:

AB4C4D30E33 (1)

Weight, g/mol:

658.282506

ΔHf, kcal/mol:

1.23

Dipole, Da:

9.58

IP(EA), eV:

 -7.98(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[N-benzyl-3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2=C(C(=O)C2=O)NC3=CC(=CC=C3)NSC4=C(C=CC(=C4)C5=CC(=CC=C5)C(=O)N(C)C)OC

DOS

IR

Vibrations