Geometry & MOs

Info

ID:	161741
PubChem CID:	57392504
Reduced:	SF2N5O5C21H27 (1)
Stoich.:	AB2C5D5E21F27 (1)
Weight, g/mol:	584.162697
ΔH_f, kcal/mol:	-275.39
Dipole, Da:	6.42
IP(EA), eV:	-9.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-tert-butyl-3-[4-[2-(2-methoxyethoxy)ethyl]-5-oxo-1,4-diazepane-1-carbonyl]thiophen-2-yl]-3-(2,3-dichlorophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)S(=O)(=O)C)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)C(F)F

DOS

IR

Vibrations