Geometry & MOs

Info

ID:	64676
PubChem CID:	29203839
Reduced:	N3O4C26H35 (1)
Stoich.:	A3B4C26D35 (1)
Weight, g/mol:	497.162057
ΔH_f, kcal/mol:	-147.69
Dipole, Da:	9.81
IP(EA), eV:	-9.42(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC(=O)N/N=C\3/C[C@@H]4CC[C@]3(C4(C)C)C

DOS

IR

Vibrations