Geometry & MOs

Info

ID:	155297
PubChem CID:	56352883
Reduced:	SN3O6C23H27 (1)
Stoich.:	AB3C6D23E27 (1)
Weight, g/mol:	448.178041
ΔH_f, kcal/mol:	-202.8
Dipole, Da:	8.76
IP(EA), eV:	-9.34(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[3-[(2,6-dimethylpyridine-3-carbonyl)amino]phenyl]sulfonylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations